Crystallography Open Database

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7159663 CIFC136 H180 N14 O10 S4P -113.7131; 15.4192; 18.7176
83.5207; 73.4507; 69.2324
3546.99Takashima, Rikito; Aoki, Daisuke; Takahashi, Akira; Otsuka, Hideyuki
A thermally driven rotaxane-catenane interconversion with a dynamic bis(hindered amino) disulfide.
Organic & biomolecular chemistry, 2024, 22, 927-931
7159664 CIFC14 H10 Cl O3 PP 1 21 14.5378; 10.6153; 13.1018
90; 91.716; 90
630.83Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.
Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides
Organic & Biomolecular Chemistry, 2024, 22, 1629-1633
7159665 CIFC9 H13 O4 PP 21 21 216.4079; 6.8535; 22.6667
90; 90; 90
995.44Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.
Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides
Organic & Biomolecular Chemistry, 2024, 22, 1629-1633
7159666 CIFC30 H27 O5 PP -110.4785; 12.0901; 12.1355
71.222; 65.046; 64.73
1241.5Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.
Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides
Organic & Biomolecular Chemistry, 2024, 22, 1629-1633
7159667 CIFC30 H27 O3 PP 1 21/n 111.552; 18.511; 11.652
90; 107.119; 90
2381.3Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.
Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides
Organic & Biomolecular Chemistry, 2024, 22, 1629-1633
7159668 CIFC15 H13 O2 PP 1 21/n 111.0159; 4.4255; 25.0968
90; 92.518; 90
1222.31Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.
Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides
Organic & Biomolecular Chemistry, 2024, 22, 1629-1633
7159669 CIFC28 H21 Cl2 O3 PP 1 21/n 111.4101; 18.7328; 11.606
90; 108.346; 90
2354.62Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.
Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides
Organic & Biomolecular Chemistry, 2024, 22, 1629-1633
7159691 CIFC17 H9 Cl O3P n a 2125.055; 3.8926; 13.226
90; 90; 90
1289.9Faraz, Simra; Ali, Ahmad; Taleb Khan, Abu
FeCl<sub>3</sub>-catalyzed regioselective ring-opening of aryl oxirane with 4-hydroxycoumarin for the synthesis of furo[3,2-<i>c</i>]coumarins.
Organic & biomolecular chemistry, 2023, 22, 95-105
7159694 CIFC44 H55 N2 O19 S2P -110.6348; 14.9932; 15.9123
83.694; 73.596; 73.516
2332.68Kotera, Naoko; Montellano, Pilar; Catalán, Aldo C.; Carrasco-Ruiz, Anayeli; Cervantes, Ruy; Tiburcio, Jorge
Correlated translational motions in pseudo-rotaxane complexes controlled by a single chemical stimulus
Organic & Biomolecular Chemistry, 2024, 22, 1135-1140
7159695 CIFC23 H15 F6 N5 SC 1 2/c 126.509; 8.6693; 19.55
90; 102.969; 90
4378.3Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis
A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.
Organic & biomolecular chemistry, 2023, 22, 114-119
7159696 CIFC39 H45 Cl F6 N6 SP 1 21/c 19.2259; 17.758; 25.991
90; 95.635; 90
4237.6Das, Sribash; Karn, Rama; Kumar, Mohit; Srimayee, Soumya; Manna, Debasis
A chloride-responsive molecular switch: driving ion transport and empowering antibacterial properties.
Organic & biomolecular chemistry, 2023, 22, 114-119
7159697 CIFC18 H15 N O4P -14.6598; 12.6674; 13.5783
115.794; 93.082; 94.546
715.88Liu, Xiaoyu; Sun, Yaru; Hong, Shuang; Ji, Xia; Gao, Wei; Yuan, Haolin; Zhang, Yue; Lei, Bin; Tang, Liangfu; Fan, Zhijin
Synthesis of fungicidal morpholines and isochromenopyridinones <i>via</i> acid-catalyzed intramolecular reactions of isoindolinones.
Organic & biomolecular chemistry, 2023, 22, 120-125
7159698 CIFC14 H11 N O2P 1 2/n 16.6228; 8.4131; 18.9386
90; 93.381; 90
1053.39Liu, Xiaoyu; Sun, Yaru; Hong, Shuang; Ji, Xia; Gao, Wei; Yuan, Haolin; Zhang, Yue; Lei, Bin; Tang, Liangfu; Fan, Zhijin
Synthesis of fungicidal morpholines and isochromenopyridinones <i>via</i> acid-catalyzed intramolecular reactions of isoindolinones.
Organic & biomolecular chemistry, 2023, 22, 120-125
7159702 CIFC17 H20 O6P 21 21 217.1304; 10.9898; 20.539
90; 90; 90
1609.47Liang, Changxu; Hu, Chao; Nie, Pengpeng; Liu, Yuanfang; Liu, Jun; Du, Yuguo
Bioinspired synthesis and biological evaluation of <i>ent</i>-protulactones A and B.
Organic & biomolecular chemistry, 2023, 22, 175-183
7159704 CIFC16 H12 N4 OP b c a17.3854; 7.5604; 20.364
90; 90; 90
2676.7Oh, Hyunjin; Kim, Ikyon
Catalyst-free assembly of a polyfunctionalized 1,2,4-triazole-fused N-heterocycle, 6-acylated pyrrolo[1,2-<i>a</i>][1,2,4]triazolo[5,1-<i>c</i>]pyrazine.
Organic & biomolecular chemistry, 2024, 22, 320-336
7159707 CIFC10.67 H9.33 Br0.44 N0.89 O0.89P -112.1123; 13.4106; 15.0272
90.102; 111.664; 113.639
2045.7Bandehali-Naeini, Farzaneh; Tanbakouchian, Zahra; Farajinia-Lehi, Noushin; Mayer, Nicolas; Shiri, Morteza; Breugst, Martin
Two distinct protocols for the synthesis of unsymmetrical 3,4-disubstituted maleimides based on transition-metal catalysts.
Organic & biomolecular chemistry, 2024, 22, 380-387
7159708 CIFC37 H25 F12 N7 O5P -110.587; 15.112; 16.143
107.182; 102.52; 106.296
2238.3Pradhan, Nyaya Prakash; Namdev, Kavthekar Rupesh; Srivastava, Aasheesh
Molecular clips with spatially proximal urea residues for efficient transmembrane co-transport of H<sup>+</sup>/Cl<sup>-</sup> ions.
Organic & biomolecular chemistry, 2023, 22, 74-79
7159709 CIFC16 H13 Br O2P 438.6773; 8.6773; 17.892
90; 90; 90
1347.19Sugano, Masayuki; Inokuma, Tsubasa; Yamaoka, Yousuke; Yamada, Ken-Ichi
5-<i>exo</i>-Selective asymmetric bromolactonization of stilbenecarboxylic acids catalyzed by phenol-bearing chiral thiourea.
Organic & biomolecular chemistry, 2024, 22, 1765-1769
7159710 CIFC76 H88 N2 O8 P2 S2P 19.4004; 9.4572; 22.4551
82.188; 80.662; 60.116
1704.38Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.
TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.
Organic & biomolecular chemistry, 2024, 22, 538-549
7159711 CIFC39 H45 B F4 N O4 P Pd SP 6429.2; 29.2; 10.1029
90; 90; 120
7460.1Gavrilov, Konstantin N.; Chuchelkin, Ilya V.; Firsin, Ilya D.; Trunina, Valeria M.; Gavrilov, Vladislav K.; Zheglov, Sergey V.; Fedorov, Denis A.; Tafeenko, Victor A.; Zamilatskov, Ilya A.; Zimarev, Vladislav S.; Goulioukina, Nataliya S.
TADDOL-based <i>P</i>,<i>S</i>-bidentate phosphoramidite ligands in palladium-catalyzed asymmetric allylic substitution.
Organic & biomolecular chemistry, 2024, 22, 538-549
7159712 CIFC23 H19 N O3 SP 1 21/c 115.14881; 8.79337; 15.81288
90; 112.272; 90
1949.27Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin
Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.
Organic & biomolecular chemistry, 2024, 22, 590-605
7159713 CIFC16 H10 N2 O6P b c a13.2109; 7.6302; 27.8997
90; 90; 90
2812.34Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin
Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.
Organic & biomolecular chemistry, 2024, 22, 590-605
7159714 CIFC22 H24 N2 O6 S2P 1 21/c 113.6603; 11.3987; 14.7403
90; 106.075; 90
2205.46Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin
Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.
Organic & biomolecular chemistry, 2024, 22, 590-605
7159715 CIFC34 H32 N2 O6 S2P -110.9621; 17.2319; 17.631
90.89; 108.06; 105.668
3030.75Forshaw, Sam; Parker, Jeremy S.; Scott, William T.; Knighton, Richard C.; Tiwari, Neelam; Oladeji, Samson M.; Stevens, Andrew C.; Chew, Yean Ming; Reber, Jami; Clarkson, Guy J.; Balasubramanian, Mohan K.; Wills, Martin
Increasing the versatility of the biphenyl-fused-dioxacyclodecyne class of strained alkynes.
Organic & biomolecular chemistry, 2024, 22, 590-605
7159716 CIFC29 H29 N3 O3 SP 1 21/n 122.29; 11.2327; 22.56
90; 108.847; 90
5345.7Shit, Sudip; Choudhury, Chinmayee; Saikia, Anil K.
Nitrile stabilized synthesis of pyrrolidine and piperidine derivatives <i>via</i> tandem alkynyl aza-Prins-Ritter reactions.
Organic & biomolecular chemistry, 2024, 22, 568-578
7159717 CIFC11 H16 O3P b c n13.5552; 7.1623; 23.1013
90; 90; 90
2242.82Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.
Two-step, high-yielding total synthesis of antibiotic pyrones.
Organic & biomolecular chemistry, 2024, 22, 554-560
7159718 CIFC15 H24 O3P 15.2134; 9.7698; 15.9903
96.982; 91.685; 96.327
802.73Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.
Two-step, high-yielding total synthesis of antibiotic pyrones.
Organic & biomolecular chemistry, 2024, 22, 554-560
7159719 CIFC32 H52 O6P -19.156; 10.2227; 17.7959
81.85; 88.334; 87.904
1647.27Hussain, Akram; Sravanthi, Revoju; Katta, Sunitha; Ramachary, Dhevalapally B.
Two-step, high-yielding total synthesis of antibiotic pyrones.
Organic & biomolecular chemistry, 2024, 22, 554-560
7159720 CIFC13 H16 O SiP 1 21/m 18.6562; 7.0369; 9.8957
90; 97.796; 90
597.2Zhang, Tao; Zhang, Cheng; Lu, Xiunan; Peng, Chengxing; Zhang, Yawei; Zhu, Xiong; Zhong, Guofu; Zhang, Jian
Synthesis of silyl indenes by ruthenium-catalyzed aldehyde- and acylsilane-enabled C-H alkylation/cyclization.
Organic & biomolecular chemistry, 2024, 22, 466-471
7159721 CIFC14 H12 Cl2 O SP 1 21/n 15.7326; 16.7916; 14.3441
90; 92.205; 90
1379.7Kumar, Saurabh; Chand, Shiv; Singh, Krishna Nand
Electro-oxidative coupling of Bunte salts with aryldiazonium tetrafluoroborates: a benign access to unsymmetrical sulfoxides.
Organic & biomolecular chemistry, 2024, 22, 850-856
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
7159723 CIFC30 H25 N O4 SP 1 21/n 18.1168; 17.929; 16.686
90; 94.685; 90
2420.1Jain, Anshul; Kumari, Akanksha; Metre, Ramesh K.; Rana, Nirmal K.
Diastereoselective synthesis of <i>trans</i>-2,3-dihydroindoles <i>via</i> formal [4 + 1] annulation reactions of a sulfonium ylide.
Organic & biomolecular chemistry, 2024, 22, 621-632
7159724 CIFC22 H18 N2 OP 1 21/c 19.1263; 10.1687; 19.2429
90; 98.907; 90
1764.26Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan
A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.
Organic & biomolecular chemistry, 2024, 22, 714-719
7159725 CIFC16 H11 F3 N2 OP 1 21 16.2516; 12.1242; 19.5002
90; 91.0124; 90
1477.8Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan
A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.
Organic & biomolecular chemistry, 2024, 22, 714-719
7159726 CIFC22 H18 N2 OP 1 21/c 113.9291; 8.5789; 15.4251
90; 108.462; 90
1748.38Sudarshana, K. A.; Sarma, Manas Jyoti; Radhakrishnan, Mydhili; Chakravarty, Sumana; Srihari, Pabbaraja; Mehta, Goverdhan
A protocol for directly accessing geminal C-4 diarylated pyrazol-5(4<i>H</i>)-ones <i>via</i> tandem C-H aryne insertion and their inceptive neurobiological evaluation.
Organic & biomolecular chemistry, 2024, 22, 714-719
7159727 CIFC13 H18 O4P 1 21 17.5355; 7.5626; 11.2958
90; 103.257; 90
626.57Fernandes, Rodney A.; Ranjan, Ravikant S.
Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.
Organic & biomolecular chemistry, 2024, 22, 811-822
7159728 CIFC17 H16 O4P 1 21 15.1299; 14.7848; 9.1241
90; 90.366; 90
692Fernandes, Rodney A.; Ranjan, Ravikant S.
Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.
Organic & biomolecular chemistry, 2024, 22, 811-822
7159729 CIFC11 H12 O4 SP 21 21 218.5447; 10.2606; 12.5052
90; 90; 90
1096.38Fernandes, Rodney A.; Ranjan, Ravikant S.
Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.
Organic & biomolecular chemistry, 2024, 22, 811-822
7159730 CIFC32 H22 N2 OP -4 21 c23.6044; 23.6044; 8.2487
90; 90; 90
4595.9Nakayama, Taku; Fujiki, Sayaka; Enda, Tomokatsu; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao
A sequential reaction of picolinamide with benzaldehydes promoted by Pd(TFA)<sub>2</sub>: rapid access to 4,5-disubstituted 2-(pyridin-2-yl)oxazoles in <i>n</i>-octane.
Organic & biomolecular chemistry, 2024, 22, 759-766
7159731 CIFC46 H28 F6 N6P 1 21/c 119.4774; 12.0444; 16.5411
90; 106.097; 90
3728.3Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman
Substituent-controlled regioselective arylation of carbazoles using dual catalysis.
Organic & biomolecular chemistry, 2024, 22, 753-758
7159732 CIFC2.71 H2 N0.35 O0.12P 1 21/c 112.1412; 12.799; 12.1671
90; 115.924; 90
1700.5Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman
Substituent-controlled regioselective arylation of carbazoles using dual catalysis.
Organic & biomolecular chemistry, 2024, 22, 753-758
7159733 CIFC24 H17 N3 O2P 1 21/c 112.7425; 13.5862; 10.3411
90; 97.302; 90
1775.8Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman
Substituent-controlled regioselective arylation of carbazoles using dual catalysis.
Organic & biomolecular chemistry, 2024, 22, 753-758
7159734 CIFC23 H17 N3 OP 1 21/c 17.3575; 19.315; 12.3105
90; 97.192; 90
1735.7Shahid, M.; Muthuraja, Perumal; Gopinath, Purushothaman
Substituent-controlled regioselective arylation of carbazoles using dual catalysis.
Organic & biomolecular chemistry, 2024, 22, 753-758
7159735 CIFC28 H31 F2 N SiP b c n19.9358; 15.8356; 15.2943
90; 90; 90
4828.34Trojan, Michal; Kučnirová, Kateřina; Bouzková, Šárka; Cvačka, Josef; Čejka, Jan; Tavčar, Gašper; Rybáčková, Markéta; Kvíčala, Jaroslav
Quaternary ammonium fluorides and difluorosilicates as nucleophilic fluorination reagents.
Organic & biomolecular chemistry, 2024, 22, 1047-1056
7159736 CIFC21 H17 N O4P 1 21/c 16.8063; 14.985; 17.161
90; 90; 90
1750.3Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa
Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.
Organic & biomolecular chemistry, 2024, 22, 998-1009
7159737 CIFC22 H20 N2 O4 SP -19.6568; 10.209; 13.0889
87.571; 71.911; 80.248
1208.81Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa
Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.
Organic & biomolecular chemistry, 2024, 22, 998-1009
7159738 CIFC25 H25 Br Cl3 N O RuP 1 21/n 110.2824; 9.8025; 26.573
90; 98.437; 90
2649.39Wen, Mengke; Zhang, Mengying; Gu, Fan; Geng, Yuehua; Liu, Xiangyang; Wu, Qingnan; Yang, Xifa
Synthesis of spiropyrans <i>via</i> Ru(II)-catalyzed coupling of 3-aryl-2<i>H</i>-benzo[<i>b</i>][1,4]oxazines with benzoquinones.
Organic & biomolecular chemistry, 2024, 22, 998-1009
7159739 CIFC32 H25 F N2 O SiP -19.84; 12.074; 13.093
102.89; 107.408; 110.2
1297.2Das, Krishna Kanta; Hajra, Alakananda
Silylation of 2<i>H</i>-indazoles by photoinduced hydrogen atom transfer catalysis.
Organic & biomolecular chemistry, 2024, 22, 1034-1037
7159740 CIFC13 H14 N2 O2 S2P 21 21 214.9499; 13.8952; 20.1686
90; 90; 90
1387.19Wang, Peifeng; Li, Shan; Wen, Huiling; Lei, Yin; Huang, Shujuan; Wang, Zixiu; Su, Jialong; Guan, Wenxiang; Lei, Jian
Thiosuccinimide enabled S-N bond formation to access <i>N</i>-sulfenylated sulfonamide derivatives with synthetic diversity.
Organic & biomolecular chemistry, 2024, 22, 990-997
7159741 CIFC19 H18 F3 N O4 SP 1 21/c 19.9278; 16.1864; 12.2047
90; 110.377; 90
1838.51Gommenginger, Clément; Hourtoule, Maxime; Menghini, Marco; Miesch, Laurence
Metal free regio - and stereoselective semireduction of CF<sub>3</sub>-substituted <i>N</i>-allenamides.
Organic & biomolecular chemistry, 2024, 22, 940-944

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