Crystallography Open Database

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4038428 CIFC18 H18 Br N O4 SP 1 21 111.5479; 5.7655; 14.537
90; 110.348; 90
907.5Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John
Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.
The Journal of organic chemistry, 2020
4038429 CIFC12 H12 Br N O2P 1 21 115.5606; 8.3186; 19.5153
90; 112.799; 90
2328.74Magnus, Nicholas Andrew; Buser, Jonas Y.; Embry, Matthew C.; Kallman, Neil John
Diastereoselective Pictet-Spengler Based Synthesis of a Chiral Tetrahydroisoquinoline D1 Potentiator.
The Journal of organic chemistry, 2020
4038430 CIFC20 H20 O4P 21 21 216.0173; 16.885; 17.2658
90; 90; 90
1754.24Sicignano, Marina; Schettini, Rosaria; Pierri, Giovanni; Marino, Maria Leda; Izzo, Irene; De Riccardis, Francesco; Bernardi, Luca; Sala, Giorgio Della
An Entry to Enantioenriched 3,3-Disubstituted Phthalides through Asymmetric Phase-Transfer-Catalyzed γ-Alkylation.
The Journal of organic chemistry, 2020
4038431 CIFC22 H18 OI 41 c d28.371; 28.371; 7.9856
90; 90; 90
6427.7Bartolo, Nicole D.; Woerpel, K. A.
Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.
The Journal of organic chemistry, 2020
4038432 CIFC23 H20 OP b c a19.1861; 8.0835; 21.0439
90; 90; 90
3263.7Bartolo, Nicole D.; Woerpel, K. A.
Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.
The Journal of organic chemistry, 2020
4038433 CIFC28 H20 B2 N2 SP -17.6953; 11.0541; 13.701
77.15; 81.52; 80.98
1114.5Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang
Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity.
The Journal of organic chemistry, 2020
4038434 CIFC31 H23 B2 Cl3 N2 SC 1 2/c 125.915; 8.985; 25.802
90; 106.34; 90
5765Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang
Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity.
The Journal of organic chemistry, 2020
4038435 CIFC18 H15 N O4P c a 2114.2902; 15.0604; 6.8511
90; 90; 90
1474.47Hickey, Shane; Nitschke, Samuel; Sweetman, Martin Jay; Sumby, Christopher J.; Brooks, Douglas A.; Plush, Sally E.; Ashton, Trent D.
Cross-coupling of amide and amide derivatives to umbelliferone nonaflates: synthesis of coumarin derivatives and fluorescent materials.
The Journal of organic chemistry, 2020
4038436 CIFC27 H63 N3 P2 Si8C 1 2/c 129.0174; 9.5931; 32.4315
90; 104.701; 90
8732.3Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald
Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.
The Journal of organic chemistry, 2020
4038437 CIFC23 H63 N3 P2 Si8P 21 21 2115.445; 16.11; 16.603
90; 90; 90
4131.1Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald
Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.
The Journal of organic chemistry, 2020
4038438 CIFC28 H65 N3 P2 Si8C 1 2/c 129.0404; 9.6147; 32.3626
90; 105.309; 90
8715.5Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald
Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.
The Journal of organic chemistry, 2020
4038439 CIFC21 H20 N2 O2P 1 21/n 18.8871; 12.8362; 14.9048
90; 94.848; 90
1694.2Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min
Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.
The Journal of organic chemistry, 2020
4038440 CIFC21 H20 N2 O3C 1 2/c 129.662; 10.9561; 10.6849
90; 96.772; 90
3448.2Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min
Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.
The Journal of organic chemistry, 2020
4038441 CIFC21 H20 N2 O SP 1 21/c 114.7542; 6.8673; 17.936
90; 105.805; 90
1748.6Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min
Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.
The Journal of organic chemistry, 2020
4038442 CIFC22 H21 Cl N2 OP 1 21/c 111.2878; 16.3406; 9.9479
90; 90.224; 90
1834.87Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min
Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.
The Journal of organic chemistry, 2020
4038443 CIFC21 H20 N2 OP -18.8977; 9.224; 11.7658
86.28; 69.044; 67.987
833.4Zhang, Zhe; Zhang, Bo-Sheng; Li, Kai-Li; An, Yang; Liu, Ce; Gou, Xue-Ya; Liang, Yong-Min
Palladium-Catalyzed Amination/Dearomatization Reaction of Indoles and Benzofurans.
The Journal of organic chemistry, 2020
4038444 CIFC22 H18 Cl N O2P 1 21/n 110.4686; 14.9205; 11.6719
90; 111.076; 90
1701.15Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb
One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.
The Journal of organic chemistry, 2020
4038445 CIFC21 H15 Cl2 N O2P 1 21/n 110.4411; 15.0003; 11.6037
90; 111.566; 90
1690.14Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb
One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.
The Journal of organic chemistry, 2020
4038446 CIFC21 H15 Cl N2 O4P 1 21/n 19.5913; 11.3803; 17.0706
90; 100.599; 90
1831.5Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb
One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.
The Journal of organic chemistry, 2020
4038447 CIFC28 H24 Cl N O4 S2P 1 21/n 110.9679; 17.281; 14.158
90; 106.458; 90
2573.5Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai
Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.
The Journal of organic chemistry, 2020
4038448 CIFC28 H24 Cl N O4 S2P -18.0583; 10.8415; 14.8495
91.482; 91.077; 98.721
1281.5Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai
Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.
The Journal of organic chemistry, 2020
4038449 CIFC27 H21 Cl F N O5 SP -18.0056; 11.2427; 13.774
88.955; 80.052; 89.787
1220.9Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai
Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.
The Journal of organic chemistry, 2020
4038450 CIFC23 H22 N2 O3 SP 1 21/n 15.2038; 19.8216; 21.82
90; 94.162; 90
2244.7Omer, Humair M.; Liu, Peng; Brummond, Kay M.
Metal Free C-C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In-Situ Generation of Sulfinate Anion.
The Journal of organic chemistry, 2020
4038451 CIFC34 H36 O8 S4P 1 21/c 115.9187; 11.306; 19.6808
90; 107.388; 90
3380.22Omer, Humair M.; Liu, Peng; Brummond, Kay M.
Metal Free C-C Coupling of an Allenyl Sulfone with Picolyl Amides to Access Vinyl Sulfones via Pyridine-Initiated In-Situ Generation of Sulfinate Anion.
The Journal of organic chemistry, 2020
4038452 CIFC53 H42 Cl3 N3 S2P 1 21/c 118.677; 12.7097; 20.926
90; 110.411; 90
4655.5Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi
Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.
The Journal of organic chemistry, 2020
4038453 CIFC49 H43 N3 O SP 1 21 113.926; 14.889; 18.825
90; 95.369; 90
3886.1Sulfikarali, Thondikkal; Ajay, Jayaprakash; Suresh, Cherumuttathu H.; Bijina, Padinjare Veetil; Gokulnath, Sabapathi
Synthesis, Structure and Optical Properties of Di-m-benzihexaphyrins (1.1.0.0.0.0) and Di-m-benziheptaphyrins (1.0.1.0.0.0.0): Blackening of m-Phenylene Linked Dicarbaporphyrinoids by Simple p-Expansion.
The Journal of organic chemistry, 2020
4038454 CIFC19 H13 Cl N2 OC 1 2/c 131.575; 4.3839; 25.202
90; 110.474; 90
3268.1Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu
Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation.
The Journal of organic chemistry, 2020
4038455 CIFC41.5 H41 N2 O2.5P 1 21/c 121.705; 18.455; 17.774
90; 112.216; 90
6591Zhang, Mengmeng; Lan, Hanyang; Li, Nan; Zhong, Qidi; Zhu, Hao; Liu, Chunyan; Zhao, Hong-Wu
Photocatalyst-Free Singlet Oxygen-Induced Oxygenation: A Strategy for the Preparation of 5-Cyano-2-Pyridones Driven by Blue-Light Irradiation.
The Journal of organic chemistry, 2020
4038456 CIFC24 H14 F6 N2 O3P b c a18.6397; 11.6276; 20.5913
90; 90; 90
4462.9Ge, Junying; Ding, Qiuping; Wang, Xinhua; Peng, Yiyuan
Three-Component Cascade Synthesis of Fully-substituted Trifluoromethyl Pyrroles via a Cu(II)/Rh(Ⅲ)-promoted aza-Michael Addition/Trifluoromethylation Cyclization/Oxidation Reaction.
The Journal of organic chemistry, 2020
4038457 CIFC81 H76 Cl2 N4 O4P 1 21/c 110.8119; 27.364; 23.5338
90; 93.109; 90
6952.39Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert
Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions.
The Journal of organic chemistry, 2020
4038458 CIFC90 H86 Cl4 N4 O12P 1 21/c 117.9928; 15.5983; 29.9124
90; 94.428; 90
8370.07Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert
Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions.
The Journal of organic chemistry, 2020
4038459 CIFC25 H37 B N9 O4 P WP 1 21 111.7009; 13.1974; 19.6819
90; 91.092; 90
3038.8Wilde, Justin H.; Dickie, Diane A.; Harman, W. Dean
A Highly Divergent Synthesis of 3-Aminotetrahydropyridines.
The Journal of organic chemistry, 2020
4038460 CIFC28 H27 Br N2 O4 SC 1 2/c 128.8676; 10.9791; 18.9515
90; 120.847; 90
5156.8Vachan, B. S.; Karuppasamy, Muthu; Jan, Gowsia; Bhuvanesh, Nattamai; Maheswari, C. Uma; Sridharan, Vellaisamy
Direct Access to Bridged Tetrahydroquinolines and Chromanes via an InCl<sub>3</sub>-Catalyzed Sequential Three-Component Cascade.
The Journal of organic chemistry, 2020
4038461 CIFC20 H28 Br2 O4P 1 21/n 17.1153; 14.0361; 10.9661
90; 106.576; 90
1049.68Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian
Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.
The Journal of organic chemistry, 2020
4038462 CIFC22 H30 O6P 1 21/c 16.3185; 12.4574; 13.2815
90; 102.049; 90
1022.38Meindl, Birgit; Pfennigbauer, Katharina; Stöger, Berthold; Heeney, Martin J.; Glöcklhofer, Florian
Double Ring-Closing Approach for the Synthesis of 2,3,6,7-Substituted Anthracene Derivatives.
The Journal of organic chemistry, 2020
4038463 CIFC27 H18 N O4P 21 21 217.49; 13.833; 18.496
90; 90; 90
1916.4Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.
Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.
The Journal of organic chemistry, 2020
4038464 CIFC26 H18 O4R -3 :H37.052; 37.052; 7.5084
90; 90; 120
8927Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.
Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.
The Journal of organic chemistry, 2020
4038465 CIFC50 H52 Cl6 N6 S4 SnP -18.9661; 12.1471; 12.7912
91.881; 100.721; 93.595
1364.7Nagahora, Noriyoshi; Kitahara, Kana; Mizuhata, Yoshiyuki; Tokitoh, Norihiro; Shioji, Kosei; Okuma, Kentaro
Synthesis and Properties of Thiophene-Fused Thiopyrylium Salts.
The Journal of organic chemistry, 2020
4038466 CIFC12 H10 Br N O2P 1 21/c 19.601; 9.516; 12.832
90; 92.868; 90
1170.9Gao, Peng; Chen, Huai-Juan; Bai, Zi-Jing; Zhao, Mi-Na; Yang, Desuo; Wang, Juan; Wang, Ning; Du, Lele; Guan, Zheng-Hui
IBX-Promoted Oxidative Cyclization of N-Hydroxyalkyl Enamines: A Metal-free Approach towards 2,3-Disubstituted Pyrroles and Pyridines.
The Journal of organic chemistry, 2020
4038467 CIFC12 H11 N O2P 1 21/n 112.858; 9.1867; 18.757
90; 104.697; 90
2143.1Gao, Peng; Chen, Huai-Juan; Bai, Zi-Jing; Zhao, Mi-Na; Yang, Desuo; Wang, Juan; Wang, Ning; Du, Lele; Guan, Zheng-Hui
IBX-Promoted Oxidative Cyclization of N-Hydroxyalkyl Enamines: A Metal-free Approach towards 2,3-Disubstituted Pyrroles and Pyridines.
The Journal of organic chemistry, 2020
4038468 CIFC11 H13 N O5 S2P 21 21 216.043; 7.662; 27.127
90; 90; 90
1256Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi
Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.
The Journal of organic chemistry, 2020
4038469 CIFC16 H15 N O5 S2P 21 21 218.5122; 9.4305; 20.019
90; 90; 90
1607Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi
Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.
The Journal of organic chemistry, 2020
4038470 CIFC23 H20 N2 O2 SP 1 n 19.1129; 11.1539; 10.0597
90; 107.223; 90
976.7Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam
Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.
The Journal of organic chemistry, 2020
4038471 CIFC23 H20 N2 O2 SP 1 21 111.3599; 8.5436; 21.1845
90; 102.804; 90
2004.9Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam
Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines.
The Journal of organic chemistry, 2020
4038472 CIFC22 H20 Br O2 PP -15.6728; 9.823; 17.884
86.194; 88.953; 75.743
963.7Zhao, Runmin; Huang, Xianhua; Wang, Minning; Hu, Shanshan; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen
TfOH-Catalyzed Phosphinylation of 2,3-Allenols into γ-Ketophosphine Oxides.
The Journal of organic chemistry, 2020
4038473 CIFC21 H19 Br F6 N2 O4I 41/a :227.123; 27.123; 13.041
90; 90; 90
9594Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai
Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction.
The Journal of organic chemistry, 2020
4038474 CIFC18 H17 Br N2 O3P 1 21/n 18.938; 14.128; 14.308
90; 105.68; 90
1739.5Liu, Yi; Wu, Ziqiao; Wang, Yankai; Zhang, Yuheng; Shao, Jie; Lu, Tao; Li, Wenhai
Synthesis of Active Hexafluoroisopropyl Benzoates via Multicomponent Reaction.
The Journal of organic chemistry, 2020
4038475 CIFC19 H11 Br N4 O3P 1 21/c 19.362; 29.313; 16.189
90; 115.546; 90
4008.4Chen, Li-Jun; Yu, Jin-Hang; He, Bin; Xie, Jian-Wu; Liu, Yuan-Xiu; Zhu, Wei-Dong
Umpolung Strategy for the Synthesis of Chiral Dispiro[2-amino-4,5-dihydrofuran-3-carbonitrile]bisoxindoles
The Journal of Organic Chemistry, 2020
4038476 CIFC17 H17 Cl N2 O SP 1 21/c 116.4728; 9.39367; 22.5176
90; 106.731; 90
3336.87Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min
Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.
The Journal of organic chemistry, 2020, 85, 7666-7673
4038477 CIFC18 H17 F3 N2 O SP 1 21/n 17.56093; 10.6632; 22.1615
90; 91.968; 90
1785.69Zheng, Nian; Liu, Ce; Ding, Ya-Nan; Shi, Wei-Yu; Zhang, Bo-Sheng; Liang, Yong-Min
Copper-Catalyzed Three-Component Redox-Neutral Ring Opening of Benzothiazoles to 1-Amino-<i>N</i>-(2-(phenylthio)phenyl)methanimine.
The Journal of organic chemistry, 2020, 85, 7666-7673

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