Crystallography Open Database

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7152130 CIFC6 H7 F O3P 15.1716; 5.2806; 6.082
68.403; 67.501; 80.743
142.64Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7155755 CIFC3 Br NP 1 21/m 15.095; 6.1734; 6.2035
90; 95.735; 90
194.14Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann
One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.
Organic & biomolecular chemistry, 2017
7157817 CIFC8 H10 O4 S2P -15.3453; 6.6576; 6.9904
86.1628; 88.9324; 82.6823
246.174Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru
<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.
Organic & biomolecular chemistry, 2021, 19, 446-456
7153431 CIFC9 H15 N O7 SP 16.0756; 6.6423; 7.3505
80.5318; 84.2434; 89.0269
291.12Wyszynski, Filip J.; Thompson, Amber L.; Davis, Benjamin G.
Inverted regioselectivity of C-H amination: Unexpected oxidation at beta- rather than gamma-C-H.
Organic & biomolecular chemistry, 2010, 8, 4246-4248
7157750 CIFC11 H13 Cl N4 OP 14.4944; 5.4263; 12.2978
97.735; 94.192; 92.2
296.04Zhang, Yanhua; Lin, Yun; Hou, Qianqian; Liu, Xi; Pricl, Sabrina; Peng, Ling; Xia, Yi
Novel aryltriazole acyclic C-azanucleosides as anticancer candidates.
Organic & biomolecular chemistry, 2020, 18, 9689-9699
7154784 CIFC6 H7 F O2P -15.391; 5.4434; 11.1433
84.283; 78.772; 68.545
298.37Goh, Yi Ling; Adsool, Vikrant A.
Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.
Organic & biomolecular chemistry, 2015, 13, 11597-11601
7152121 CIFC6 H8 O4P 1 21 16.1357; 5.1847; 9.4064
90; 93.064; 90
298.81Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7152126 CIFC6 H7 F O3P 1 21 16.1181; 7.1297; 6.9272
90; 94.628; 90
301.18Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7152120 CIFC6 H8 O4P 1 21 16.6936; 7.0452; 6.707
90; 99.357; 90
312.08Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7150420 CIFC11 H19 N O4P 15.989; 6.651; 8.661
70.749; 77.415; 86.976
317.81Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan
Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.
Organic & biomolecular chemistry, 2006, 4, 1166-1173
7157816 CIFC7 H4 Br NC 1 m 19.4437; 8.5227; 4.0482
90; 91.2214; 90
325.749Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru
<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.
Organic & biomolecular chemistry, 2021, 19, 446-456
7158980 CIFC12 H13 F3 N2 O5P 14.9797; 6.2209; 11.7288
76.575; 80.995; 77.331
342.66Sharma, Nagendra K.; Gupta, Manish Kumar
New Amino acid, Hybrid Peptides and BODIPY Analogs: Synthesis and Evaluation of 2-Aminotroponyl-L-Alanine (ATA) Derivatives
Organic & Biomolecular Chemistry, 2022
7150867 CIFC6 H6 B Br O2P -14.957; 7.056; 10.7572
95.766; 92.219; 96.613
371.37Filthaus, Matthias; Oppel, Iris M.; Bettinger, Holger F.
Supramolecular structures and spontaneous resolution: the case of ortho-substituted phenylboronic acids
Organic & Biomolecular Chemistry, 2008, 6, 1201-1207
7151304 CIFC13 H23 N3 O3P 15.8431; 7.9668; 9.1733
114.831; 97.043; 99.449
373.43Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan
Structural studies of model peptides containing ?-, ?- and ?-amino acids
Organic & Biomolecular Chemistry, 2006, 4, 4214
7152640 CIFC7 H12 N2 O2P -15.65; 7.884; 9.777
110.051; 90.33; 109.728
381.45Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.
A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.
Organic & biomolecular chemistry, 2012, 10, 8055-8058
7150652 CIFC15 H23 N O5P 16.1541; 7.9492; 8.6988
71.93; 70.89; 83
382.17Mathieson, Jennifer E.; Crawford, James J.; Schmidtmann, Marc; Marquez, Rodolfo
Fast and efficient one step synthesis of dienamides
Organic & Biomolecular Chemistry, 2009, 7, 2170-2175
7156507 CIFC6 H2 N8 O2P 1 21/n 15.7793; 11.6585; 5.7805
90; 100.28; 90
383.23Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming
Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.
Organic & biomolecular chemistry, 2018, 16, 8034-8037
7153691 CIFC15 H26 O3 SP 15.29; 6.432; 12.429
86.64; 88.36; 65.8
385.068Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo
Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.
Organic & biomolecular chemistry, 2014, 12, 2180-2184
7157773 CIFC17 H19 N O3 SP 15.9286; 8.2863; 8.6201
109.21; 90.208; 103.829
386.74Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua
Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)<sub>2</sub>-mediated difunctionalization of alkenes.
Organic & biomolecular chemistry, 2020, 18, 9873-9882
7158553 CIFC7 H10 O4P -15.2698; 7.5782; 10.1856
100.249; 91.298; 98.547
395.33BRAIA, Nabila; Merabet-Khelassi, Mounia; TOFFANO, martial; Guillot, Régis; Aribi-Zouioueche, Louisa
Access to valuable building blocks by regio-and enantioselective ring-opening of itaconic anhydride using lipase catalysis.
Organic & Biomolecular Chemistry, 2022
7155208 CIFC7 H3 Br F N O3P 1 21 14.9191; 6.2146; 13.1151
90; 95.211; 90
399.27Close, Adam J.; Jones, Rhiannon N.; Ocasio, Cory A.; Kemmitt, Paul; Roe, S. Mark; Spencer, John
Elaboration of tetra-orthogonally-substituted aromatic scaffolds towards novel EGFR-kinase inhibitors.
Organic & biomolecular chemistry, 2016, 14, 8246-8252
7153936 CIFC10 H6 O4P 1 21/c 16.1142; 12.283; 5.6061
90; 107.7; 90
401.09Korshin, Edward E.; Leitus, Gregory M.; Bendikov, Michael
Convenient access to readily soluble symmetrical dialkyl-substituted α-oligofurans.
Organic & biomolecular chemistry, 2014, 12, 6661-6671
7156136 CIFC7 H11 N3 OP 1 21 15.5524; 7.337; 9.871
90; 91.581; 90
402Halder, Joydev; Das, Debabrata; Nanda, Samik
A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.
Organic & biomolecular chemistry, 2018, 16, 2549-2575
7151043 CIFC5 H11 Cl N4 OP 1 21 15.1589; 10.5387; 7.4162
90; 93.901; 90
402.27Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason
Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties.
Organic & biomolecular chemistry, 2007, 5, 239-248
7150360 CIFC5 H5 N9P -15.7327; 7.6069; 10.45
96.967; 104.847; 109.68
403.83Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter
Studies on pyridazine azide cyclisation reactions.
Organic & biomolecular chemistry, 2004, 2, 1782-1788
7150109 CIFC5 H11 N O5 SP -17.3712; 7.4301; 9.0586
66.362; 87.942; 64.538
404.73Kenworthy, Martin N.; Taylor, Richard J. K.
Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.
Organic & biomolecular chemistry, 2005, 3, 603-611
7154955 CIFC8 H7 N3 O2P -15.7205; 7.824; 9.811
72.891; 85.142; 74.695
404.78Patel, Shyam Sunder; Chandna, Nisha; Kumar, Shreemoyee; Jain, Nidhi
I2 mediated synthesis of 5-substituted-3-methyl/benzyl-1,3,4-oxadiazol-2(3H)-ones via sequential condensation/oxidative cyclization and rearrangement.
Organic & biomolecular chemistry, 2016, 14, 5683-5689
7151577 CIFC7 H10 N2 O5P 1 21 16.9444; 6.4862; 9.16
90; 99.437; 90
407.01Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl
A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors.
Organic & biomolecular chemistry, 2004, 2, 206-213
7154066 CIFC18 H16 O4 S2P -14.8906; 9.361; 9.693
104.639; 101.792; 100.598
407.1Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis
Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.
Organic & biomolecular chemistry, 2014, 12, 8752-8763
7150492 CIFC20 H16 N4 O4P -13.842; 9.062; 12.098
87.23; 81.25; 78.18
407.41Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz
Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5
Organic & Biomolecular Chemistry, 2003, 1, 1425
7153243 CIFC17 H22 O5 SP 17.6102; 8.2782; 8.3471
111.026; 99.798; 115.264
410.05O'Byrne, Aisling; Murray, Cian; Keegan, Dearbhla; Palacio, Carole; Evans, Paul; Morgan, Ben S.
The thio-adduct facilitated, enzymatic kinetic resolution of 4-hydroxycyclopentenone and 4-hydroxycyclohexenone.
Organic & biomolecular chemistry, 2010, 8, 539-545
7155013 CIFC9 H5 Cl N2 O2P -16.6155; 7.022; 9.6435
82.132; 76.879; 71.863
413.54Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe
Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.
Organic & biomolecular chemistry, 2016, 14, 3459-3468
7150454 CIFC9 H14 O2P 1 21 16.1182; 6.6921; 10.181
90; 94.019; 90
415.82Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar
Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols
Org. Biomol. Chem., 2003, 1, 700-704
7155012 CIFC9 H5 Cl N2 O2P -14.6985; 9.6719; 9.8461
111.248; 92.409; 91.899
416.09Théveau, Laure; Schneider, Cédric; Querolle, Olivier; Meerpoel, Lieven; Levacher, Vincent; Hoarau, Christophe
Synthesis and orthogonal functionalization of oxazolo[5',4':4,5]pyrano[2,3-b]pyridine by intra- and intermolecular Pd-catalyzed direct C-H bond heteroarylation.
Organic & biomolecular chemistry, 2016, 14, 3459-3468
7155026 CIFC18 H15 Br F3 N OP 15.0171; 8.347; 10.439
101.211; 102.192; 91.033
418.4Ikeda, Kazunori; Futamura, Takashi; Hanakawa, Taisyun; Minakawa, Maki; Kawatsura, Motoi
Palladium-catalyzed enantioselective allylic alkylation of trifluoromethyl group substituted racemic and acyclic unsymmetrical 1,3-disubstituted allylic esters with malonate anions.
Organic & biomolecular chemistry, 2016, 14, 3501-3505
7150172 CIFC16 H22 N2 O5P 15.108; 5.71; 14.903
79.659; 81.128; 89.62
422.4Dutt, Anita; Drew, Michael G. B.; Pramanik, Animesh
beta-Sheet mediated self-assembly of dipeptides of omega-amino acids and remarkable fibrillation in the solid state.
Organic & biomolecular chemistry, 2005, 3, 2250-2254
7151726 CIFC8 H13 N O3P 1 21 16.0046; 6.104; 12.099
90; 103.144; 90
431.84Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain
Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.
Organic & biomolecular chemistry, 2011, 9, 1901-1907
7150289 CIFC9 H12 SeP -17.325; 8.283; 8.758
62.64; 84.18; 67.59
434.5Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo
Tetramethylcyclopentadienylselenium derivatives.
Organic & biomolecular chemistry, 2005, 3, 3990-3995
7159755 CIFC5 H5 O2C 1 m 16.3968; 15.9612; 4.3338
90; 100.453; 90
435.14Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran
Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.
Organic & biomolecular chemistry, 2024, 22, 1038-1046
7155484 CIFC20 H14 N4 O4P -14.673; 7.018; 13.709
77.037; 86.712; 86.883
437Matsubara, Ryosuke; Eguchi, Shuhei; Ando, Akihiro; Hayashi, Masahiko
Synthesis of alkynyl furoxans. Rare carbon-carbon bond-forming reaction on a furoxan ring.
Organic & biomolecular chemistry, 2017, 15, 1965-1969
7154565 CIFC14 H18 N2 S6P -14.4366; 7.095; 14.0927
91.198; 95.948; 97.185
437.49Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.
Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.
Organic & biomolecular chemistry, 2015, 13, 8479-8486
7155828 CIFC9 H9 N3 O2P 1 n 13.8441; 14.0818; 8.2393
90; 101.091; 90
437.68Sarkar, Sujan K.; Gatlin, DeVonna M; Das, Anushree; Loftin, Breyinn; Krause, Jeanette; Abe, Manabu; Gudmundsdottir , Anna
Laser flash photolysis of nanocrystalline α-azido-p-methoxy-acetophenone
Org. Biomol. Chem., 2017
7157919 CIFC7 H13 N3 O3P 1 21 110.14; 4.0229; 10.8744
90; 98.89; 90
438.26Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7151027 CIFC12 H10 O2P -16.589; 7.55; 9.691
97.609; 103.781; 106
439.8Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Kishor, Mamillapalli
Multi-catalysis reactions: direct organocatalytic sequential one-pot synthesis of highly functionalized cyclopenta[b]chromen-1-ones
Organic & Biomolecular Chemistry, 2008, 6, 4188-4197
7151929 CIFC11 H10 O2P -16.352; 7.033; 10.437
83.301; 77.06; 77.613
442.7Nair, Vijay; Sinu, C. R.; Rejithamol, R.; Seetha Lakshmi, K. C.; Suresh, Eringathodi
A novel NHC-catalyzed transformation of 2H-chromene-3-carboxaldehydes to 3-methyl-2H-chromen-2-ones.
Organic & biomolecular chemistry, 2011, 9, 5511-5514
7153258 CIFC8 H14 N2 O2P -16.9; 7.365; 8.819
83.78; 86.06; 84.78
442.9Thiverny, Maryse; Philouze, Christian; Chavant, Pierre Yves; Blandin, Véronique
MiPNO, a new chiral cyclic nitrone for enantioselective amino acid synthesis: the cycloaddition approach.
Organic & biomolecular chemistry, 2010, 8, 864-872
7159825 CIFC1.54 H1.38 N0.46P -16.3402; 7.4033; 10.8259
102.832; 92.959; 114.223
445.98Pal, Koustav; Srinivasu, Vinjamuri; Biswas, Sourabh; Sureshkumar, Devarajulu
Visible light-induced organo-photocatalyzed route to synthesize substituted pyrazoles.
Organic & biomolecular chemistry, 2024, 22, 2384-2388
7152008 CIFC10 H11 N O2P 1 21 18.4105; 5.6321; 10.022
90; 107.78; 90
452.05Devi, Rema B.; Henrot, Matthias; De Paolis, Michaël; Maddaluno, Jacques
Domino alkylation/oxa-Michael of 1,3-cyclohexanediones: Steering the C/O-chemoselectivity to reach tetrahydrobenzofuranones.
Organic & biomolecular chemistry, 2011, 9, 6509-6512
7150888 CIFC19 H24 N4 O2P 14.675; 9.497; 10.809
76.78; 81.59; 77.55
453.8Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles
Propensity for local folding induced by the urea fragment in short-chain oligomers
Organic & Biomolecular Chemistry, 2008, 6, 2596-2610
7153666 CIFC10 H10 Cl2P 1 21 17.4192; 7.6708; 8.1477
90; 101.304; 90
454.7Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.
Reactions of enantiopure cyclic diols with sulfuryl chloride.
Organic & biomolecular chemistry, 2014, 12, 2128-2136
7150875 CIFC9 H6 N2 O5P -15.35; 8.79; 10.58
111.47; 94.77; 94.31
458.412Mahiout, Zahia; Lomberget, Thierry; Goncalves, Sylvie; Barret, Roland
Solvent-dependent oxidations of 5- and 6-azaindoles to trioxopyrrolopyridines and functionalised azaindoles
Organic & Biomolecular Chemistry, 2008, 6, 1364-1376
7153060 CIFC22 H20 N2 O3P 17.3566; 8.0059; 9.006
65.624; 71.772; 81.292
458.74Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.
Urea-catalyzed construction of oxazinanes.
Organic & biomolecular chemistry, 2013, 11, 5793-5797
7159466 CIFC9 H10 Br O3P 1 21 17.6869; 5.978; 10.041
90; 95.575; 90
459.224Ding, Xiao-Bo; Wung, Alexander; Furkert, Daniel P.; Brimble, Margaret A.
Synthesis of the spiroimine fragment of portimines A and B.
Organic & biomolecular chemistry, 2023, 21, 6008-6017
7156524 CIFC8 H6 Cl2 O2 SP -14.9268; 7.7; 12.5316
89.531; 82.298; 77.518
459.87Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
A hemithioindigo molecular motor for metal surface attachment.
Organic & biomolecular chemistry, 2019, 17, 1979-1983
7159925 CIFC9 H12 O4P 15.5136; 7.5778; 11.5822
78.459; 82.801; 77.467
461.13Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin
Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus Chaetomium globosum SD-347
Organic & Biomolecular Chemistry, 2024
7157828 CIFC9 H11 N O5P 1 21 18.3; 6.2591; 9.34
90; 108.02; 90
461.42Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan
A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.
Organic & biomolecular chemistry, 2021, 19, 1083-1099
7157940 CIFC10 H10 Cl N OP 1 21 15.1792; 13.1666; 6.8217
90; 97.057; 90
461.664Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.
Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.
Organic & biomolecular chemistry, 2021, 19, 2794-2803
7151750 CIFC11 H4 F3 N SP -17.223; 7.9584; 9.1866
100.979; 97.143; 113.863
462.01Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry, 2011, 9, 2294-2305
7159899 CIFC12 H8 N2 O2P 1 21 13.7249; 9.6327; 12.9466
90; 92.843; 90
463.96Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
Organic & Biomolecular Chemistry, 2024
7159321 CIFC11 H12 O3P 1 21 17.0003; 7.5875; 9.1343
90; 106.874; 90
464.28Ojo, O. Stephen; Hughes, David L.; Richards, Christopher J.
An expedient copper-catalysed asymmetric synthesis of γ-lactones and γ-lactams. Application to the synthesis of lucidulactone A.
Organic & biomolecular chemistry, 2023, 21, 4144-4149
7155929 CIFC8 H8 Br2 F2P 1 21/n 16.2656; 6.3728; 11.8196
90; 100.172; 90
464.53Sedenkova, Kseniya N.; Averina, Elena B.; Grishin, Y K.; Kolodjashnaja, Julia V.; Rybakov, Victor B.; Kuznetsova, Tamara S.; Hughes, Audrey; Gomes, Gabriel dos Passos; Alabugin, Igor; Zefirov, Nikolay S.
Substituent effects on stereoselectivity of dihalocarbene reactions with cyclohexadiene and on the reactivity of bis-dihalocyclopropanes in electrophilic nitrations on route to pyrimidine N-oxides
Org. Biomol. Chem., 2017
7151181 CIFC6 H10 Br O6P -16.239; 7.228; 11.171
85.342; 82.801; 69.105
466.56Pirinççioğlu, Necmettin; Robinson, James J.; Mahon, Mary F.; Buchanan, J. Grant; Williams, Ian H.
Experimental and computational evidence for alpha-lactone intermediates in the addition of aqueous bromine to disodium dimethyl-maleate and -fumarate.
Organic & biomolecular chemistry, 2007, 5, 4001-4009
7153624 CIFC11 H8 N2 SP 1 21 16.4535; 7.2728; 10.4085
90; 105.814; 90
470.03Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence
Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.
Organic & biomolecular chemistry, 2014, 12, 1475-1487
7151791 CIFC6 H7 N O6 S2P -17.2877; 8.168; 8.3571
93.74; 107.823; 92.785
471.35Patel, Bhaven; Carlisle, Julie; Bottle, Steven E.; Hanson, Graeme R.; Kariuki, Benson M.; Male, Louise; McMurtrie, John C.; Spencer, Neil; Grainger, Richard S.
In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine.
Organic & biomolecular chemistry, 2011, 9, 2336-2344
7159032 CIFC9 H16 N O2P 1 21 15.9143; 10.376; 7.9856
90; 105.79; 90
471.56Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.
Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.
Organic & biomolecular chemistry, 2023, 21, 375-385
7159035 CIFC20 H26 N2 O2P -15.8003; 5.8739; 14.924
89.862; 86.02; 69.143
473.87Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.
Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.
Organic & biomolecular chemistry, 2023, 21, 375-385
7152919 CIFC5 H12 Cl F2 N O3P 1 21/m 15.827; 9.2591; 8.8013
90; 90.3; 90
474.85Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan
Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.
Organic & biomolecular chemistry, 2013, 11, 3168-3176
7159900 CIFC12 H8 N2 O2P 1 21 13.7817; 9.718; 12.9407
90; 92.15; 90
475.24Ohira, Kazuki; Kozuka, Kumpei; Kaneda, Naoki; Yamamoto, Masahiro; Imato, Keiichi; Ooyama, Yousuke
Photochromism of phenazine-2,3-diol derivatives through excited state intermolecular proton transfer based on keto–enol tautomerization
Organic & Biomolecular Chemistry, 2024
7159173 CIFC10 H10 Cl N O2P 1 21 15.5304; 8.5314; 10.1412
90; 93.371; 90
477.655Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.
Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.
Organic & biomolecular chemistry, 2023, 21, 1952-1957
7153323 CIFC10 H16 O4P -16.28; 7.095; 11.413
97.531; 102.847; 101.348
477.9Salame, Rim; Gravel, Edmond; Retailleau, Pascal; Poupon, Erwan
Biomimetically relevant self-condensations of C5 units derived from lysine.
Organic & biomolecular chemistry, 2010, 8, 2522-2528
7150553 CIFC9 H10 N4 O2P -14.5625; 10.2315; 11.4327
107.479; 100.889; 101.507
480.82Nakaike, Yumi; Hayashi, Daisuke; Nishiwaki, Nagatoshi; Tobe, Yoshito; Ariga, Masahiro
Formylnitroenamines: useful building blocks for nitrated pyridones and aminopyridines with functional groups
Organic & Biomolecular Chemistry, 2009, 7, 325-334
7158994 CIFC10 H15 F O3P 1 21 17.6334; 5.7702; 11.1406
90; 100.426; 90
482.6Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John
Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues
Organic & Biomolecular Chemistry, 2022
7150365 CIFC9 H15 N3 OP -17.607; 8.04; 8.369
96.79; 98.36; 104.7
483.4Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt
1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.
Organic & biomolecular chemistry, 2004, 2, 1227-1238
7154021 CIFC11 H12 F N OP -16.0469; 9.1864; 9.4011
110.41; 96.98; 92.353
483.85Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo
Short and efficient synthesis of fluorinated δ-lactams.
Organic & biomolecular chemistry, 2015, 13, 717-728
7158269 CIFC10 H14 N4P -17.5321; 8.0983; 9.2836
71.4315; 73.3773; 66.8118
484.97Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert
Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.
Organic & biomolecular chemistry, 2021, 19, 7641-7654
7151587 CIFC12 H14 O2P -16.6969; 7.0489; 10.9328
77.964; 75.679; 80.977
486.04Hue, Bui T. B.; Dijkink, Jan; Kuiper, Sanne; Larson, Kimberly K.; Guziec, Jr, Frank S; Goubitz, Kees; Fraanje, Jan; Schenk, Henk; van Maarseveen, Jan H.; Hiemstra, Henk
Synthesis of the cyclobutanone core of solanoeclepin A intramolecular allene butenolide photocycloaddition.
Organic & biomolecular chemistry, 2003, 1, 4364-4366
7154635 CIFC11 H4 O3 S2P 1 21 13.7349; 10.508; 12.512
90; 96.366; 90
488Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika
A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.
Organic & biomolecular chemistry, 2015, 13, 9462-9470
7158120 CIFC9 H9 F3 N2 O2P -14.8119; 10.5336; 10.7314
114.87; 94.157; 90.003
491.92Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.
Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.
Organic & biomolecular chemistry, 2021, 19, 6059-6065
7150033 CIFC8 H12 N2 O5P -17.4377; 8.3035; 9.2515
73.265; 67.994; 71.219
492.34Hibbs, David E.; Overgaard, Jacob; Howard, Siân T; Nguyen, Thanh Ha
Experimental charge density of a potential DHO synthetase inhibitor: dimethyl-trans-2-oxohexahydro-pyrimidine-4,6-dicarboxylate.
Organic & biomolecular chemistry, 2005, 3, 441-447
7155913 CIFC23 H22 O4 SP 15.6715; 8.7531; 10.1807
84.071; 82.036; 83.693
495.5Przydacz, Artur; Kowalczyk, Rafał; Albrecht, Lukasz
Brønsted-base-catalyzed Remote Cascade Reactivity of 2,4-Dienones - Asymmetric Synthesis of Tetrahydrothiophenes
Org. Biomol. Chem., 2017
7151946 CIFC9 H6 Br3 NP -17.6033; 8.0327; 9.661
68.061; 66.835; 73.873
497.24Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.
Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.
Organic & biomolecular chemistry, 2011, 9, 5021-5023
7152774 CIFC11 H15 N O2P 1 21 17.757; 6.483; 9.907
90; 92.808; 90
497.6Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.
Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.
Organic & biomolecular chemistry, 2013, 11, 509-514
7150957 CIFC11 H16 O2P 1 21 17.2451; 7.3525; 9.3666
90; 93.255; 90
498.15Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar
Combining multi-catalysis and multi-component systems for the development of one-pot asymmetric reactions: stereoselective synthesis of highly functionalized bicyclo[4.4.0]decane-1,6-diones
Organic & Biomolecular Chemistry, 2008, 6, 2488-2492
7155805 CIFC10 H12 B N3 O2P 1 c 18.5138; 5.9254; 10.259
90; 105.511; 90
498.69Gu, Han; Chio, Tak Ian; Lei, Zhen; Staples, Richard J.; Hirschi, Jennifer S.; Bane, Susan
Formation of hydrazones and stabilized boron-nitrogen heterocycles in aqueous solution from carbohydrazides and ortho-formylphenylboronic acids
Org. Biomol. Chem., 2017
7150443 CIFC13 H9 N O SP 1 21 13.8693; 12.3848; 10.4698
90; 95.015; 90
499.8Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau
Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.
Organic & biomolecular chemistry, 2006, 4, 1707-1722
7155333 CIFC12 H10 N4P -17.5325; 8.2606; 9.0301
73.705; 83.998; 68.21
500.78Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar
I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.
Organic & biomolecular chemistry, 2016, 14, 11061-11064
7153661 CIFC8 H9 Br N2 O4P -17.3702; 7.6424; 9.3429
95.852; 105.352; 93.753
502.48Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.
Hydrophilic tetracarboxy bacteriochlorins for photonics applications.
Organic & biomolecular chemistry, 2014, 12, 86-103
7151704 CIFC10 H5 Br N6P -17.2576; 8.4262; 8.8405
97.305; 110.101; 90.585
502.74Smith, Catherine J.; Nikbin, Nikzad; Ley, Steven V.; Lange, Heiko; Baxendale, Ian R.
A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles.
Organic & biomolecular chemistry, 2011, 9, 1938-1947
7152770 CIFC9 H11 F N2 O5P 1 21 16.3007; 7.3372; 10.8989
90; 92.277; 90
503.45Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.
Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.
Organic & biomolecular chemistry, 2013, 11, 746-757
7154006 CIFC9 H11 I O3P -17.6999; 8.0494; 9.507
104.034; 112.572; 100.066
503.71Matovic, R.; Bihelovic, F.; Gruden-Pavlovic, M; Saicic, R. N.
Total synthesis and biological evaluation of atrop-O-benzyl-desmethylabyssomicin C.
Organic & biomolecular chemistry, 2014, 12, 7682-7685
7150331 CIFC8 H14 F2 O5P -16.9777; 8.3569; 9.3808
82.847; 71.23; 77.901
505.45Audouard, Christophe; Fawcett, John; Griffiths, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.
Synthesis of 4,4-difluoroglycosides using ring-closing metathesis.
Organic & biomolecular chemistry, 2004, 2, 528-541
7150568 CIFC12 H12 N4P 1 21/c 19.698; 5.875; 10.023
90; 117.314; 90
507.4Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng
New domino reaction for the selective synthesis of tetracyclic cinnolino[5,4,3-cde]cinnolines
Organic & Biomolecular Chemistry, 2009, 7, 1171-1175
7154705 CIFC12 H8 O2 SP 1 21 16.1577; 7.3665; 11.253
90; 91.935; 90
510.15Yohda, Masaaki; Yamamoto, Yasunori
Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones.
Organic & biomolecular chemistry, 2015, 13, 10874-10880
7152013 CIFC8 H13 N O3 SP 1 21 15.1207; 18.0019; 5.8831
90; 109.066; 90
512.57Aubry, Sylvain; Sasaki, Kaname; Eloy, Laure; Aubert, Geneviève; Retailleau, Pascal; Cresteil, Thierry; Crich, David
Exploring the potential of the β-thiolactones in bioorganic chemistry.
Organic & biomolecular chemistry, 2011, 9, 7134-7143
7150493 CIFC24 H20 N4 O4P -17.767; 8.8044; 9.1959
62.048; 71.921; 70.707
515.1Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz
Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5
Organic & Biomolecular Chemistry, 2003, 1, 1425
7156685 CIFC24 H23 Br O3P 15.8561; 8.9674; 10.0618
94.232; 97.739; 98.721
515.12Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.
Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.
Organic & biomolecular chemistry, 2019, 17, 2670-2683
7156912 CIFC10 H12 N2 O4P -17.6784; 7.8448; 9.1114
91.933; 101.72; 105.491
515.61Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7153651 CIFC14 H18 OP -16.2093; 8.3668; 11.145
74.54; 89.252; 68.175
515.65Olbrich, Martin; Mayer, Peter; Trauner, Dirk
A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.
Organic & biomolecular chemistry, 2014, 12, 108-112
7150031 CIFC11 H14 O2 SP 1 21 17.5387; 6; 11.4544
90; 91.308; 90
517.97Bedford, Simon T.; Grainger, Richard S.; Steed, Jonathan W.; Tisselli, Patrizia
Stereoselective synthesis of 2,5-disubstituted-1,4-oxathiane S-oxides.
Organic & biomolecular chemistry, 2005, 3, 404-406
7155411 CIFC11 H8 Br2P 1 21 14.3644; 15.4436; 7.821
90; 99.674; 90
519.66Lin, Mei-Huey; Chen, Yu-Chun; Chiu, Shih-Hao; Liang, Kung-Yu; Lee, Yi-Lin; Chuang, Tsung-Hsun
Stereoselective preparation of conjugated (Z)-1,3-enynes by dehydration reactions of allenic bromohydrins and the use of the enynes in base-mediated tandem allylation ene-carbocyclization reactions with β-ketoesters.
Organic & biomolecular chemistry, 2017, 15, 605-609
7158072 CIFC23 H22 Br N3 O3P 15.6515; 8.034; 12.082
81.886; 88.585; 73.865
521.6Biswas, Rayhan G.; Ray, Sumit K.; Kannaujiya, Vinod K.; Unhale, Rajshekhar A.; Singh, Vinod K.
Cu(I)-Catalyzed asymmetric <i>exo</i>-selective synthesis of substituted pyrrolidines <i>via</i> a 1,3-dipolar cycloaddition reaction.
Organic & biomolecular chemistry, 2021, 19, 4685-4690
7151942 CIFC10 H7 Br2 N O2P -17.128; 7.3609; 10.9238
90.492; 98.609; 112.463
522.34Parsons, Thomas B.; Ghellamallah, Cédric; Male, Louise; Spencer, Neil; Grainger, Richard S.
Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles.
Organic & biomolecular chemistry, 2011, 9, 5021-5023
7153316 CIFC11 H7 Cl F N3 OP -15.5835; 8.4844; 11.9337
105.02; 93.976; 104.71
522.56Venturoni, Francesco; Nikbin, Nikzad; Ley, Steven V.; Baxendale, Ian R.
The application of flow microreactors to the preparation of a family of casein kinase I inhibitors.
Organic & biomolecular chemistry, 2010, 8, 1798-1806
7155909 CIFC11 H13 N O SP -17.004; 8.8258; 8.9668
100.469; 95.629; 104.054
522.84Urriolabeitia, Esteban Pablo; Ruiz, Sara; Carrera, Clara; Villuendas, Pedro
Ru-catalysed synthesis of fused heterocycle-pyridinones and -pyrones
Org. Biomol. Chem., 2017
7154464 CIFC11 H19 N OP 1 21 17.7588; 5.5583; 12.2776
90; 97.98; 90
524.35Alves, Leandro de C; Desiderá, André L; de Oliveira, Kleber T.; Newton, Sean; Ley, Steven V.; Brocksom, Timothy J.
A practical deca-gram scale ring expansion of (R)-(-)-carvone to (R)-(+)-3-methyl-6-isopropenyl-cyclohept-3-enone-1.
Organic & biomolecular chemistry, 2015, 13, 7633-7642
7156672 CIFC13 H7 N O3 SP -15.4276; 9.6873; 10.8442
69.319; 82.283; 83.399
527.2Tasker, Nikhil R.; Rastelli, Ettore J.; Blanco, Isabella K.; Burnett, James C.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter
In-flow photooxygenation of aminothienopyridinones generates iminopyridinedione PTP4A3 phosphatase inhibitors.
Organic & biomolecular chemistry, 2019, 17, 2448-2466
7155389 CIFC25 H20 Cl N O4P 16.5505; 8.7111; 9.9103
82.5366; 73.6985; 76.9181
527.35Sengoku, Tetsuya; Kokubo, Kana; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi
Indium-catalysed amide allylation of α-iminoamide: highly enantioselective synthesis of amide functionalised α-methylene-γ-butyrolactams.
Organic & biomolecular chemistry, 2017, 15, 320-323
7152264 CIFC12 H12 O2 SP -17.2317; 8.138; 9.5
108.982; 90.709; 90.925
528.5Mitra, Prithiba; Shome, Brateen; Ranjan De, Saroj; Sarkar, Anindya; Mal, Dipakranjan
Stereoselective synthesis of hydroxy stilbenoids and styrenes by atom-efficient olefination with thiophthalides.
Organic & biomolecular chemistry, 2012, 10, 2742-2752
7158933 CIFC8 H6 F3 N O4 SP -17.7049; 8.0698; 9.0862
74.601; 77.073; 82.099
529.03Yao, Yunfei; Lin, Bo; Wu, Minze; Zhang, Yafang; Huang, Yangjie; Han, Xiaoyan; Weng, Zhiqiang
Synthesis of 2-trifluoromethyl thiazoles via [3 + 2] cycloaddition of pyridinium 1,4-zwitterionic thiolates with CF3CN
Organic & Biomolecular Chemistry, 2022
7151585 CIFC10 H10 F6 OP -15.996; 8.007; 11.386
80.9; 87.03; 78.66
529.1DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm
Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry
Organic & Biomolecular Chemistry, 2003, 1, 4423
7154684 CIFC4 H3 N5 OP n m a13.1418; 5.9625; 6.768
90; 90; 90
530.33Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.
Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.
Organic & biomolecular chemistry, 2015, 13, 10620-10630
7154314 CIFC4 H5 F2 N O2P 1 21/c 19.2697; 5.3382; 10.8156
90; 96.537; 90
531.71Mykhailiuk, Pavel K.
Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.
Organic & biomolecular chemistry, 2015, 13, 3438-3445
7150050 CIFC14 H8 N2 O2P 1 21/n 14.627; 16.48; 7.004
90; 94.34; 90
532.54Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7159037 CIFC9 H17.56 N2 O2.44P -17.7049; 8.1609; 10.0105
102.84; 94.37; 117.329
533.5Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.
Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.
Organic & biomolecular chemistry, 2023, 21, 375-385
7156050 CIFC12 H16 O3P -17.3633; 8.6583; 9.2145
95.128; 98.931; 111.272
533.98Meng, Zhe; Liu, Bo
Total synthesis of five natural eremophilane-type sesquiterpenoids.
Organic & biomolecular chemistry, 2018, 16, 957-962
7153317 CIFC11 H12 N2 O3P -18.038; 8.521; 8.678
73.591; 81.419; 69.809
534.2Lechel, Tilman; Dash, Jyotirmayee; Eidamshaus, Christian; Brüdgam, Irene; Lentz, Dieter; Reissig, Hans-Ulrich
A three-component synthesis of beta-alkoxy-beta-keto-enamides‒flexible precursors for 4-hydroxypyridine derivatives and their palladium-catalysed reactions.
Organic & biomolecular chemistry, 2010, 8, 3007-3014
7155846 CIFC11 H14 O6P -17.7439; 7.8264; 9.1707
76.972; 81.6747; 83.9592
534.27Geibel, Irina; Schmidtmann, Marc; Christoffers, Jens
Cerium-Catalyzed, Oxidative Synthesis of Annulated, Tetrasubstituted Dihydrofuran-Derivatives
Org. Biomol. Chem., 2017
7157501 CIFC8 H12 F N O4 SP -16.9928; 7.7011; 10.3093
79.651; 81.793; 80.005
534.28Liu, Jing; Wang, Shi-Meng; Qin, Hua-Li
Light-induced [2 + 2] cycloadditions for the construction of cyclobutane-fused pyridinyl sulfonyl fluorides.
Organic & biomolecular chemistry, 2020, 18, 4019-4023
7150338 CIFC10 H10 F2 O6P -17.3657; 7.5078; 10.1384
77.063; 78.383; 89.452
534.86Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria
Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.
Organic & biomolecular chemistry, 2004, 2, 455-465
7154395 CIFC12 H9 N O3P -14.9159; 9.8984; 11.3114
88.785; 78.349; 82.913
534.94Wang, Shichao; Li, Yong; Liu, Hui; Li, Jinpeng; Li, Tiesheng; Wu, Yangjie; Okada, Shuji; Nakanishi, Hachiro
Topochemical polymerization of unsymmetrical aryldiacetylene supramolecules with nitrophenyl substituents utilizing C-Hπ interactions.
Organic & biomolecular chemistry, 2015, 13, 5467-5474
7158265 CIFC13 H13 N O2P 1 21 18.8556; 6.92143; 9.428
90; 111.887; 90
536.22Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian
Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles
Organic & Biomolecular Chemistry, 2021, 19, 7480-7484
7150326 CIFC11 H11 N3 O2P -17.2055; 7.8564; 9.9993
101.554; 92.508; 103.229
537.48Siu, Jason; Baxendale, Ian R.; Ley, Steven V.
Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.
Organic & biomolecular chemistry, 2004, 2, 160-167
7151915 CIFC11 H10 Cl N3 OP -15.5353; 6.5391; 15.0596
85.657; 81.972; 89.189
538.2Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence
A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.
Organic & biomolecular chemistry, 2011, 9, 4295-4305
7150440 CIFC14 H11 N O3P 1 21 13.82; 9.5681; 14.756
90; 93.579; 90
538.28Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau
Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.
Organic & biomolecular chemistry, 2006, 4, 1707-1722
7152430 CIFC13 H13 N O2P -15.5086; 8.9755; 11.5642
103.51; 95.81; 101.073
539.16Liu, Xu; Xin, Xin; Xiang, Dexuan; Zhang, Rui; Kumar, Santosh; Zhou, Fenguo; Dong, Dewen
Facile and efficient synthesis of quinolin-2(1H)-ones via cyclization of penta-2,4-dienamides mediated by H(2)SO(4).
Organic & biomolecular chemistry, 2012, 10, 5643-5646
7159852 CIFC9 H15 N O7P 1 21 15.16094; 12.6912; 8.2512
90; 92.987; 90
539.71Yang, Zhongzhen; Arnoux, Marion; Hazelard, Damien; Hughes, Owen R.; Nabarro, Joe; Whitwood, Adrian C.; Fascione, Martin A.; Spicer, Christopher D.; Compain, Philippe; Unsworth, William P.
Expanding the scope of the successive ring expansion strategy for macrocycle and medium-sized ring synthesis: unreactive and reactive lactams.
Organic & biomolecular chemistry, 2024, 22, 2985-2991
7153735 CIFC9 H18 Cl N O2P 1 21 15.421; 8.9375; 11.4409
90; 101.827; 90
542.55Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.
Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.
Organic & biomolecular chemistry, 2014, 12, 2702-2728
7150481 CIFC10 H12 N4 O4P -15.9847; 7.3833; 12.375
94.29; 95.28; 91.8
542.6Crampton, Michael R.; Emokpae, Thomas A.; Howard, Judith A. K.; Isanbor, Chukwuemeka; Mondal, Raju
Kinetic and equilibrium studies of σ-adduct formation and nucleophilic substitution in the reactions of 2-phenoxy-3,5-dinitropyridine and 2-ethoxy-3,5-dinitropyridine with aliphatic amines in dipolar aprotic solventsElectronic supplementary information (ESI) available: Tables 10‒15. See http://www.rsc.org/suppdata/ob/b2/b211639c/
Organic & Biomolecular Chemistry, 2003, 1, 1004
7153129 CIFC12 H11 I OP -16.6246; 8.867; 9.748
107.355; 91.179; 95.669
543.1Gu, Xiangyong; Lu, Ping; Fan, Weigang; Li, Pixu; Yao, Yingming
Visible light photoredox atom transfer Ueno-Stork reaction.
Organic & biomolecular chemistry, 2013, 11, 7088-7091
7156107 CIFC11 H5 F3 O3 SP -18.0423; 8.0926; 9.4378
68.147; 84.221; 72.377
543.3Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N
Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.
Organic & biomolecular chemistry, 2018, 16, 1686-1691
7151708 CIFC12 H13 N O4P 1 21 15.654; 7.4586; 13.1
90; 99.649; 90
544.62Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou
Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.
Organic & biomolecular chemistry, 2011, 9, 382-386
7158264 CIFC9 H14 Br N O3P -14.5418; 10.9707; 11.8989
109.638; 92.037; 101.081
544.76Chen, Xiao Yun; Yuan, Shuxia; Chen, Yan; Sun, Chenyang; Tang, Yaonan; Chen, Guang; Zhu, Baocheng; Chen, Kaiwei; Zheng, Shaojun; Cheng, Xiaofang
Solvent-controlled two-step one-pot syntheses of α-X (X = Br or Cl) enamino ketones/esters and 3-(2,5-dioxopyrrolidin-1-yl)acrylate by using terminal carbonyl alkynes.
Organic & biomolecular chemistry, 2021, 19, 7914-7919
7150668 CIFC11 H11 Cl O3P 1 21 17.5568; 5.6463; 12.8318
90; 92.578; 90
546.95Kashinath, Dhurke; Mioskowski, Charles; Falck, J. R.; Goli, Mohan; Meunier, Stéphane; Baati, Rachid; Wagner, Alain
Highly stereoselective synthesis of (Z,E)-1-halo-1,3-dienol esters via rearrangement of Fischer chromium chloro-carbenes using microwave irradiation
Organic & Biomolecular Chemistry, 2009, 7, 1771-1774
7155152 CIFC13 H8 N2 O2 SP -16.4286; 7.452; 11.707
89.263; 78.416; 84.742
547.09Salamoun, Joseph M.; McQueeney, Kelley E.; Patil, Kalyani; Geib, Steven J.; Sharlow, Elizabeth R.; Lazo, John S.; Wipf, Peter
Photooxygenation of an amino-thienopyridone yields a more potent PTP4A3 inhibitor.
Organic & biomolecular chemistry, 2016, 14, 6398-6402
7159571 CIFC11 H6 F5 N O2P -17.6612; 8.6533; 8.7731
107.81; 94.3444; 95.6658
547.57Bakhanovich, Olga; Klepetářová, Blanka; Beier, Petr
Rhodium(II)-catalyzed transannulation approach to <i>N</i>-fluoroalkylated indoles.
Organic & biomolecular chemistry, 2023, 21, 7924-7927
7151916 CIFC11 H10 Br N3 OP -15.6105; 6.4884; 15.2886
86.338; 81.785; 89.249
549.71Zeghada, Sarah; Bentabed-Ababsa, Ghenia; Derdour, Aïcha; Abdelmounim, Safer; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Nassar, Ekhlass; Mongin, Florence
A combined experimental and theoretical study of the thermal cycloaddition of aryl azides with activated alkenes.
Organic & biomolecular chemistry, 2011, 9, 4295-4305
7159784 CIFC12 H9 N3 O2P -17.0783; 7.7116; 10.234
84.195; 86.746; 82.03
549.87Chaudhari, Suryakant S.; Nichinde, Chandrakant B.; Patil, Baliram R.; Girase, Amardipsing S.; Rama Krishna, Gamidi; Kinage, Anil K.
Base controlled rongalite-mediated reductive aldol/cyclization and dimerization of isatylidene malononitriles/cyanoacetates
Organic & Biomolecular Chemistry, 2024, 22, 1727-1732
7155325 CIFC12 H18 O3P -17.3024; 8.6519; 8.9513
77.266; 86.338; 88.215
550.42Vayer, Marie; Fang, Weizhen; Guillot, Régis; Bezzenine-Lafollée, Sophie; Bour, Christophe; Gandon, Vincent
Acid-catalysed intramolecular addition of β-ketoesters to 1,3-dienes.
Organic & biomolecular chemistry, 2017, 15, 584-588
7159492 CIFC16 H13 NP 1 21 16.0743; 7.2917; 12.6835
90; 100.602; 90
552.187Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung
Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.
Organic & biomolecular chemistry, 2023, 21, 7316-7326
7155496 CIFC14 H9 Cl N2P 1 21 19.5475; 4.7592; 12.4973
90; 103.477; 90
552.22Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay
Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.
Organic & biomolecular chemistry, 2017, 15, 2259-2268
7159761 CIFC14 H9 Cl N2P 1 21 19.5508; 4.7677; 12.4996
90; 103.508; 90
553.43Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh
Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines
Organic & Biomolecular Chemistry, 2024, 22, 1167-1171
7154352 CIFC10 H8 Cl N3 O4P -16.3391; 7.7064; 12.819
93.164; 102.778; 113.261
553.93Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.
Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.
Organic & biomolecular chemistry, 2015, 13, 4231-4239
7157943 CIFC26 H22 Br2 N2 O2P -17.5194; 9.483; 9.4934
118.013; 97.791; 104.191
553.98Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.
Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.
Organic & biomolecular chemistry, 2021, 19, 2794-2803
7157330 CIFC11 H10 N4 O2P -17.345; 7.435; 11.625
74.87; 89.96; 65.91
555.4Balam-Villarreal, J A; López-Mayorga, B J; Gallardo-Rosas, D; Toscano, R. A.; Carreón-Castro, M P; Basiuk, V. A.; Cortés-Guzmán, F; López-Cortés, J G; Ortega-Alfaro, M C
π-Extended push-pull azo-pyrrole photoswitches: synthesis, solvatochromism and optical band gaps.
Organic & biomolecular chemistry, 2020, 18, 1657-1670
7151471 CIFC11 H13 Cl N2 OP -17.348; 8.642; 9.832
103.7; 109.61; 97.53
556.1Ebner, Sieglinde; Wallfisch, Bianca; Andraos, John; Aitbaev, Ilyas; Kiselewsky, Michael; Bernhardt, Paul V.; Kollenz, Gert; Wentrup, Curt
N-Aminopyrroledione?hydrazonoketene?pyrazolium oxide?pyrazolone rearrangements and pyrazolone tautomerismElectronic supplementary information (ESI) available: calculated and observed IR spectra of 8a and X-ray structure, packing diagram, bond lengths and angles for compound 14. See http://www.rsc.org/suppdata/ob/b3/b304070d
Organic & Biomolecular Chemistry, 2003, 1, 2550
7151266 CIFC23 H29 O4 PP 15.8939; 8.5144; 11.3355
82.108; 87.448; 82.337
558.23Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart
Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure.
Organic & biomolecular chemistry, 2006, 4, 3113-3116
7156134 CIFC11 H8 Cl N3 O2P -15.781; 8.5176; 11.7466
102.453; 90.5; 98.113
558.69Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon
A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.
Organic & biomolecular chemistry, 2018, 16, 2105-2113
7155125 CIFC15 H8 F N O2P -15.4675; 9.3791; 11.1931
84.624; 79.858; 82.835
559.09Ali, Wajid; Modi, Anju; Behera, Ahalya; Mohanta, Prakash Ranjan; Patel, Bhisma K.
Cs2CO3 as a source of carbonyl and ethereal oxygen in a Cu-catalysed cascade synthesis of benzofuran [3,2-c] quinolin-6[5-H]ones.
Organic & biomolecular chemistry, 2016, 14, 5940-5944
7153840 CIFC12 H16 O4P -16.4719; 8.7411; 10.9321
110.196; 95.635; 101.286
559.89Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane
Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.
Organic & biomolecular chemistry, 2014, 12, 5212-5221
7152987 CIFC13 H14 O5P 1 21 18.6438; 7.4285; 8.7806
90; 94.451; 90
562.11Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent
First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.
Organic & biomolecular chemistry, 2013, 11, 4178-4185
7152132 CIFC13 H13 F O4P 1 21 16.224; 10.6879; 8.8554
90; 106.7; 90
564.23Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7151483 CIFC13 H13 Cl N2 OP -17.4271; 9.2771; 9.6627
113.68; 106.518; 96.026
566.05Ihmels, Heiko; Faulhaber, Katja; Wissel, Kathrin; Viola, Giampietro; Vedaldi, Daniela
6-Aminoacridizinium bromide: a fluorescence probe which lights up in AT-rich regions of DNA
Organic & Biomolecular Chemistry, 2003, 1, 2999-3001
7153173 CIFC13 H18 O3P -16.8219; 9.1724; 9.3248
88.1107; 79.4709; 80.956
566.52Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor
Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.
Organic & biomolecular chemistry, 2013, 11, 8026-8029
7159512 CIFC13 H22 OP 1 21 17.3197; 7.1491; 10.908
90; 96.041; 90
567.638Ricca, Michael; Yao, Shaolei; Le, Tommy; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.
A <i>cis</i>-β-iron(III) SALPN catalyst for hydrogen atom transfer reductions and olefin cross couplings.
Organic & biomolecular chemistry, 2023, 21, 6789-6793
7157810 CIFC6 H8 N2P 1 21/c 110.1687; 7.4132; 7.6623
90; 100.344; 90
568.22Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru
<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.
Organic & biomolecular chemistry, 2021, 19, 446-456
7157188 CIFC12 H13 Br O3P 1 21 15.845; 7.6852; 12.8843
90; 100.457; 90
569.15Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.
Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.
Organic & biomolecular chemistry, 2019, 17, 7398-7407
7152166 CIFC25 H20 N2 O8P 16.717; 7.176; 12.147
99.024; 99.364; 91.872
569.5Bhuniya, Rajib; Nanda, Samik
Enantiomeric scaffolding of α-tetralone and related scaffolds by EKR (enzymatic kinetic resolution) and stereoselective ketoreduction with ketoreductases.
Organic & biomolecular chemistry, 2012, 10, 536-547
7159762 CIFC14 H9 Br N2P 1 21 19.6512; 4.9125; 12.4349
90; 104.633; 90
570.43Le, Duc Long; Nguyen, Le Anh; Vo, Ngoc Binh; Nguyen, Thi Thu Tram; Ngo, Quoc Anh; Retailleau, Pascal; Nguyen, Thanh Binh
Sodium sulfide-promoted regiodefined redox condensation of o-nitroanilines with aryl ketones to benzo[a]phenazines and quinoxalines
Organic & Biomolecular Chemistry, 2024, 22, 1167-1171
7154310 CIFC4 H4 N2 O3P n m a5.561; 6.229; 16.499
90; 90; 90
571.517Mykhailiuk, Pavel K.
Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.
Organic & biomolecular chemistry, 2015, 13, 3438-3445
7152977 CIFC10 H11 Br Cl N O3P 1 21 18.9755; 6.9472; 9.1777
90; 90.968; 90
572.19Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal
Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.
Organic & biomolecular chemistry, 2013, 11, 4702-4718
7155499 CIFC14 H9 N3 O2P -13.9286; 11.3555; 13.3245
78.536; 83.012; 81.083
572.98Gopalaiah, Kovuru; Saini, Anupama; Chandrudu, Sankala Naga; Rao, Devarapalli Chenna; Yadav, Harsh; Kumar, Binay
Copper-catalyzed aerobic oxidative coupling of o-phenylenediamines with 2-aryl/heteroarylethylamines: direct access to construct quinoxalines.
Organic & biomolecular chemistry, 2017, 15, 2259-2268
7159599 CIFC12 H12 N4 O2P 1 21 110.047; 4.9832; 11.8477
90; 104.242; 90
574.94Arandhara, Pallav Jyoti; Behera, Bipin Kumar; Biswas, Subhamoy; Saikia, Anil K.
Synthesis of 1,2,3-triazole-fused N-heterocycles from <i>N</i>-alkynyl hydroxyisoindolinones and sodium azide <i>via</i> the Huisgen reaction.
Organic & biomolecular chemistry, 2023, 21, 8772-8781
7159722 CIFC9 H15 N3 O7P 1 21 15.1341; 8.4181; 13.3376
90; 93.235; 90
575.52Persaud, Kevin E.; Sahu, Rajesh R.; Neary, Michelle C.; Kapdi, Anant R.; Lakshman, Mahesh K.
Two short approaches to the COVID-19 drug β-D-<i>N</i><sup>4</sup>-hydroxycytidine and its prodrug molnupiravir.
Organic & biomolecular chemistry, 2024, 22, 735-740
7150808 CIFC18 H30 N4 O8 S2P -15.224; 9.313; 12.558
101.76; 91.68; 105
575.6Christensen, Mikkel S.; Bond, Andrew D.; Nielsen, Poul
Synthetic nucleic acid secondary structures containing the four stereoisomers of 1,4-bis(thymine-1-yl)butane-2,3-diol
Organic & Biomolecular Chemistry, 2008, 6, 81-91
7150051 CIFC14 H8 N2 S2P 1 21/c 18.993; 5.988; 11.445
90; 110.87; 90
575.88Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7151706 CIFC21 H36 Br N2 O3P 15.3658; 10.1748; 10.905
82.918; 88.385; 78.119
578.17Bhuyan, Bhaskar J.; Mugesh, Govindasamy
Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.
Organic & biomolecular chemistry, 2011, 9, 1356-1365
7153454 CIFC11 H11 Br N2 O2P 1 21 14.753; 12.723; 9.586
90; 93.749; 90
578.4Leng, Dong-Hui; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang
Highly efficient and enantioselective biotransformations of β-lactam carbonitriles and carboxamides and their synthetic applications.
Organic & biomolecular chemistry, 2010, 8, 4736-4743
7158183 CIFC13 H8 Br N3 OP -16.7509; 9.2249; 10.2422
112.512; 93.859; 97.72
578.97Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B
Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.
Organic & biomolecular chemistry, 2021, 19, 6671-6681
7154459 CIFC10 H15 N O6P 1 21 18.772; 7.482; 9.64
90; 113.568; 90
579.9Bai, Zhushuang; Ji, Ling; Ge, Zemei; Wang, Xin; Li, Runtao
Asymmetric Michael addition reactions of nitroalkanes to 2-furanones catalyzed by bifunctional thiourea catalysts.
Organic & biomolecular chemistry, 2015, 13, 5363-5366
7153846 CIFC25 H25 Br O5P 16.4597; 9.7895; 10.0741
70.729; 76.156; 79.307
579.93Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J
Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.
Organic & biomolecular chemistry, 2014, 12, 5071-5076
7157717 CIFC15 H11 N O2P 1 21 13.9404; 16.0925; 9.1575
90; 90.254; 90
580.68Bian, Zi-Long; Lv, Xin-Xin; Li, Ya-Lan; Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin
Acid-promoted synthesis and photophysical properties of substituted acridine derivatives.
Organic & biomolecular chemistry, 2020, 18, 8141-8146
7157988 CIFC11 H12 N2 O4 SP -18.4413; 8.917; 9.0986
95.122; 107.332; 113.574
581.96Liu, Xue; Wang, Jingjing; Wu, Ziyan; Li, Feng; Gao, Kexin; Peng, Fanyang; Wang, Junjie; Shen, Renzeng; Zhou, Yao; Liu, Lantao
An organophotoredox-catalyzed C(sp<sup>2</sup>)-N cross coupling reaction of cyclic aldimines with cyclic aliphatic amines.
Organic & biomolecular chemistry, 2021, 19, 3595-3600
7158390 CIFC11 H14 F3 N O3P -15.4368; 8.606; 12.6785
93.198; 100.084; 92.872
582.06Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.
New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.
Organic & biomolecular chemistry, 2021, 19, 9925-9935
7152117 CIFC6 H8 O4P 21 21 215.6736; 9.5781; 10.7239
90; 90; 90
582.76Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7150907 CIFC12 H11 N O6P -17.769; 7.865; 10.811
87.61; 85.41; 62.43
583.69Grabowsky, Simon; Pfeuffer, Thomas; Morgenroth, Wolfgang; Paulmann, Carsten; Schirmeister, Tanja; Luger, Peter
A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds
Organic & Biomolecular Chemistry, 2008, 6, 2295-2307
7152125 CIFC6 H7 F O3P 21 21 215.7591; 6.2197; 16.2984
90; 90; 90
583.81Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7156762 CIFC12 H9 Cl O2 S2P -17.2227; 8.8688; 9.7985
72.745; 86.41; 77
584.04Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
Organic & biomolecular chemistry, 2019, 17, 4990-5000
7150048 CIFC16 H10 N4P 1 21/n 15.779; 5.35; 18.906
90; 91.466; 90
584.3Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7155642 CIFC11 H9 F4 N3P 1 21 17.1098; 5.6455; 14.581
90; 90.522; 90
585.23Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr
Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application
Org. Biomol. Chem., 2017
7150341 CIFC4 H6 B N2 O2.5P 21 21 27.6474; 21.062; 3.6345
90; 90; 90
585.41Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.
5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.
Organic & biomolecular chemistry, 2004, 2, 852-857
7154767 CIFC15 H13 N O2P -17.9496; 8.5205; 9.6732
108.919; 98.719; 103.047
585.57Yevglevskis, Maksims; Lee, Guat L.; Sun, Jenny; Zhou, Shiyi; Sun, Xiaolong; Kociok-Köhn, Gabriele; James, Tony D.; Woodman, Timothy J.; Lloyd, Matthew D.
A study on the AMACR catalysed elimination reaction and its application to inhibitor testing.
Organic & biomolecular chemistry, 2015, 14, 612-622
7159589 CIFC12 H18 N2 O2P 1 21 16.0452; 10.044; 9.6566
90; 90.901; 90
586.26Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan
Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.
Organic & biomolecular chemistry, 2023, 21, 8695-8701
7153432 CIFC7 H5 N O2P b c n5.1445; 14.134; 8.0639
90; 90; 90
586.35McNab, Hamish; Montgomery, James; Parsons, Simon; Tredgett, David G.
Pyrrolizine-1,3-dione.
Organic & biomolecular chemistry, 2010, 8, 4383-4387
7152127 CIFC6 H7 F O3P 21 21 216.271; 7.6812; 12.1999
90; 90; 90
587.65Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7150821 CIFC22 H30 Mg O10P -18.279; 8.724; 9.245
97.164; 94.153; 116.289
587.8Bernat, Virginie; André, Chantal; André-Barrès, Christiane
Weak chemiluminescence emission during base induced rearrangement of G-factors
Organic & Biomolecular Chemistry, 2008, 6, 454-457
7152131 CIFC6 H7 F O3P 21 21 216.7058; 8.1556; 10.7504
90; 90; 90
587.94Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7152639 CIFC5 H8 N2 O2P 1 21/c 19.243; 7.153; 8.902
90; 91.489; 90
588.4Ha, Khanh; Monbaliu, Jean-Christophe M; Williams, Byron C.; Pillai, Girinath G.; Ocampo, Charles E.; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.
A convenient synthesis of difficult medium-sized cyclic peptides by Staudinger mediated ring-closure.
Organic & biomolecular chemistry, 2012, 10, 8055-8058
7150049 CIFC16 H10 N4C 1 2 122.523; 3.912; 6.979
90; 106.14; 90
590.7Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
Organic & biomolecular chemistry, 2005, 3, 498-502
7152949 CIFC26 H28 O2 S4P -15.7198; 9.0209; 11.863
79.85; 78.78; 87.139
590.9Evans, Nicholas R.; White, Andrew J. P.
(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to "quasi-metallic" golden-bronze crystals.
Organic & biomolecular chemistry, 2013, 11, 3871-3879
7151458 CIFC12 H16 S2P 1 c 14.5402; 13.4819; 9.713
90; 96.274; 90
590.98Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf
Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions
Organic & Biomolecular Chemistry, 2003, 1, 2788
7154136 CIFC15 H15 NP -17.7019; 9.4338; 10.0092
63.0521; 68.8273; 71.1657
593.34Zhang, Wandi; Haskins, Christopher W.; Yang, Yang; Dai, Mingji
Synthesis of nitriles via palladium-catalyzed water shuffling from amides to acetonitrile.
Organic & biomolecular chemistry, 2014, 12, 9109-9112
7157917 CIFC9 H16 Cl N3 O3P -16.7656; 9.4132; 10.2539
108.309; 96.718; 102.189
594.05Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7154065 CIFC10 H10 Br2 O4P 1 21/n 18.937; 5.0321; 13.3138
90; 96.958; 90
594.34Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis
Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.
Organic & biomolecular chemistry, 2014, 12, 8752-8763
7155448 CIFC10 H13 N O7P 1 21 16.0454; 14.0347; 7.1416
90; 101.033; 90
594.73Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.
Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.
Organic & biomolecular chemistry, 2017, 15, 1453-1462
7158417 CIFC18 H22 Br4 Cu2 F2 N4P -17.8883; 8.1714; 10.3538
71.537; 79.335; 70.634
594.83Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat
Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.
Organic & biomolecular chemistry, 2021, 20, 219-227
7152124 CIFC6 H7 F O3P 21 21 216.3628; 9.2072; 10.1628
90; 90; 90
595.37Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan
Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.
Organic & biomolecular chemistry, 2012, 10, 394-403
7159895 CIFC8 H10 K N5 O5P -18.1404; 8.4811; 9.2843
86.9918; 85.9992; 68.7003
595.49Gerasimova, Tatiana; Zagidullin, Almaz; Nikolaeva, Anastasiya; Fayzullin, Robert R.; Saitova, Alya; Miluykov, Vasily; Grimme, Stefan; Katsyuba, Sergey
Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight
Organic & Biomolecular Chemistry, 2024
7154263 CIFC27 H25 N O6 SP 15.5082; 10.112; 11.961
66.024; 83.58; 78.23
595.6Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.
Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.
Organic & biomolecular chemistry, 2015, 13, 2177-2191
7153818 CIFC16 H12 N2 OP 1 21 14.0054; 15.3131; 9.7743
90; 95.953; 90
596.27Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.
Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).
Organic & biomolecular chemistry, 2014, 12, 4656-4662
7151287 CIFC14 H12 Br N OP 1 21 16.642; 7.761; 11.984
90; 105.13; 90
596.3Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim
First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.
Organic & biomolecular chemistry, 2006, 4, 3215-3219

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