Crystallography Open Database

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4038478 CIFC21 H24 N2 O2 SP 1 21/c 117.7949; 11.2697; 10.0677
90; 104.349; 90
1956.02Zheng, 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
4038479 CIFC18 H18 O3P 1 21/n 110.5278; 12.1806; 11.4454
90; 99.627; 90
1447.03Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.
One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.
The Journal of organic chemistry, 2020
4038480 CIFC26 H18 Br3 N O3P 1 21/c 111.0228; 9.1224; 22.8268
90; 95.723; 90
2283.9Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.
One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.
The Journal of organic chemistry, 2020
4038481 CIFC16 H13 Cl O4P 1 21/c 15.9006; 15.9293; 14.4042
90; 101.031; 90
1328.87Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.
One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.
The Journal of organic chemistry, 2020
4038482 CIFC17 H17 Cl O5P 1 21/n 19.1565; 14.1329; 12.2218
90; 106.165; 90
1519.07Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.
One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.
The Journal of organic chemistry, 2020
4038483 CIFC26 H18 Cl3 N O3P 1 21/c 110.783; 9.095; 22.4992
90; 96.644; 90
2191.71Neal, Taylor A.; Eippert, Allyson B.; Chivington, Austin; Jamison, Andrew; Chukwuma, Chukwunalu; Moore, Curtis E.; Neal, Jennifer F.; Allen, Heather C.; Wysocki, Laura M.; Paul, Noel Michael; Badjic, Jovica D.
One-Pot Aldol Cascade for the Preparation of Isospiropyrans, Flavylium Salts and bis-Spiropyrans.
The Journal of organic chemistry, 2020
4038484 CIFC17 H18 O3P 618.6843; 8.6843; 32.226
90; 90; 120
2104.8Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili
Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.
The Journal of organic chemistry, 2020
4038485 CIFC17 H17 F O3P -17.5228; 8.6162; 12.1657
73.415; 83.009; 72.76
721.2Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili
Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.
The Journal of organic chemistry, 2020
4038486 CIFC17 H17 Br O3P 1 21/n 19.2435; 11.0703; 15.3163
90; 102.368; 90
1530.9Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili
Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.
The Journal of organic chemistry, 2020
4038487 CIFC18 H20 O4P n a 218.8967; 11.4613; 30.389
90; 90; 90
3098.7Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili
Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.
The Journal of organic chemistry, 2020
4038488 CIFC24 H26 N O4 SP 1 21/n 112.6268; 13.5454; 12.6269
90; 99.11; 90
2132.4Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili
Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.
The Journal of organic chemistry, 2020
4038489 CIFC18 H20 O3P 1 21/n 110.274; 10.309; 14.243
90; 94.557; 90
1503.8Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili
Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.
The Journal of organic chemistry, 2020
4038490 CIFC29 H28 Br N O4 SP 1 21/c 127.088; 8.3022; 11.4695
90; 96.808; 90
2561.2Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili
Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.
The Journal of organic chemistry, 2020
4038491 CIFC38 H32 N2 O6P 1 21/n 112.6219; 16.3765; 16.6547
90; 100.607; 90
3383.7Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad
Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.
The Journal of organic chemistry, 2020
4038492 CIFC152 H128 N8 O24 ZnP -112.8844; 13.9073; 20.6328
98.862; 106.525; 94.899
3469.4Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad
Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.
The Journal of organic chemistry, 2020
4038493 CIFC147 H132 N16 O27 ZnP 1 21/a 123.94; 28.05; 23.991
90; 119.85; 90
13973Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad
Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.
The Journal of organic chemistry, 2020
4038494 CIFC36 H30 N4 O6P 1 21/n 112.8709; 15.6947; 16.5272
90; 92.507; 90
3335.38Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad
Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks.
The Journal of organic chemistry, 2020
4038495 CIFC54 H78 O8P 113.4848; 13.8175; 14.4535
74.959; 88.351; 65.812
2363.3Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A
Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.
The Journal of organic chemistry, 2020, 85, 8501-8509
4038496 CIFC54 H78 O8P 1 21 113.7565; 10.3255; 16.8608
90; 100.716; 90
2353.2Vargas-Romero, Katherine; Martínez-Torres, Fátima C; Aguilar-Granda, Andrés; Pérez-Estrada, Salvador; Flores-Alamo, Marcos; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A
Synthesis and Solid-State Dynamics of a Crystalline Steroid Molecular Rotor without the Alkyne Axle: Steroid Dimers Based on a 1,4-Di(1,3-dioxan-2-yl)benzene Moiety.
The Journal of organic chemistry, 2020, 85, 8501-8509
4038497 CIFC17 H18 N4 O6P -18.5683; 10.3368; 11.1001
78.658; 75.05; 77.369
916.54Brahmachari, Goutam; Nayek, Nayana; Karmakar, Indrajit; Nurjamal, Khondekar; Chandra, Swapan K.; Bhowmick, Anindita
A Series of Functionalized 5-(2-Arylimidazo[1,2-a]pyridin-3-yl)pyrimidine-2,4(1H,3H)-diones: A Water-Mediated Three-Component Catalyst-Free Protocol Revisited.
The Journal of organic chemistry, 2020
4038498 CIFC29 H18 F6 N2 OP 1 21/c 116.5939; 13.739; 10.851
90; 99.769; 90
2437.98Zhu, Lifan; Guo, Hongyu; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming
Copper-Catalyzed One-Pot Synthesis of 1,3-Enynes from 2-Chloro-<i>N</i>-(quinolin-8-yl)acetamides and Terminal Alkynes.
The Journal of organic chemistry, 2020, 85, 8740-8748
4038499 CIFC22 H19 Br O4 SP 21 21 2111.0046; 11.4721; 15.6538
90; 90; 90
1976.23Formánek, Bedřich; Tauchman, Jiří; Císařová, Ivana; Veselý, Jan
Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction.
The Journal of organic chemistry, 2020, 85, 8510-8521
4038500 CIFC13 H9 Cl O2P 1 21/c 115.3318; 5.8627; 11.9302
90; 104.921; 90
1036.2Tong, Zhou; Tang, Zhi; Au, Chak-Tong; Qiu, Renhua
Nickel-Catalyzed Decarbonyloxidation of 3-Aryl Benzofuran-2(<i>3H</i>)-ones to 2-Hydroxybenzophenones.
The Journal of organic chemistry, 2020, 85, 8533-8543
4038501 CIFC15 H13 N3P 1 21/n 17.022; 11.2016; 15.789
90; 99.001; 90
1226.6Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S.
The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes.
The Journal of organic chemistry, 2020
4038502 CIFC22 H13 N3P 1 21/c 123.9762; 11.8933; 22.7987
90; 93.283; 90
6490.52Kumar, Neha; Agrawal, Abhijeet R.; Choudhury, Aditya; Zade, Sanjio S.
The Effect of Base and Nucleophile on the Nucleophilic Substitution of Methoxytropone Derivatives: An Easy Access to 4- and 5-Substituted Multifunctional Azulenes.
The Journal of organic chemistry, 2020
4038504 CIFC17 H18 N2 S2P -18.2539; 9.845; 10.1665
85.666; 76.94; 82.44
796.86Qi, Peng; Sun, Fang; Chen, Ning; Du, Hongguang
Cross-Dehydrogenative Coupling of Azoarenes with Dialkyl Disulfides.
The Journal of organic chemistry, 2020, 85, 8588-8596
4038505 CIFC20 H21 N O6 SP 1 21/n 18.4889; 23.1788; 10.7372
90; 108.396; 90
2004.7Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.
Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.
The Journal of organic chemistry, 2020, 85, 8618-8626
4038506 CIFC18 H15 N O3P -18.8161; 9.5583; 9.7852
70.157; 73.487; 68.453
709.31Ghosh, Koushik; Ghosh, Arghadip; Mukherjee, Kallol; Rit, Raja K.; Sahoo, Akhila K.
Sulfoximine-Assisted Unsymmetrical Twofold C-H Functionalization of Arenes.
The Journal of organic chemistry, 2020, 85, 8618-8626
4038507 CIFC18 H17 F3 N2 O5P 1 21/c 18.6117; 13.1472; 16.255
90; 95.684; 90
1831.3Fang, Zheng; Yin, Hongshan; Lin, Lu; Wen, Shunli; Xie, Lili; Huang, Yangjie; Weng, Zhiqiang
Collaborative Activation of Trifluoroacetyl Diazoester by a Lewis Acid and Base for the Synthesis of Polysubstituted 4-Trifluoromethylpyrazoles.
The Journal of organic chemistry, 2020, 85, 8714-8722
4038508 CIFC12 H13 Cl O2P 21 21 217.2414; 8.1329; 18.752
90; 90; 90
1104.4Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli
Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.
The Journal of organic chemistry, 2020, 85, 8656-8664
4038509 CIFC13 H17 Cl2 N OP 1 21 18.5612; 7.1443; 11.337
90; 101.245; 90
680.1Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli
Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.
The Journal of organic chemistry, 2020, 85, 8656-8664
4038510 CIFC21 H17 B F7 N3P 1 21/c 118.1713; 13.699; 8.3562
90; 97.785; 90
2060.93Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan
Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.
The Journal of organic chemistry, 2020, 85, 8360-8370
4038511 CIFC24 H26 B Br2 F2 N3P 21 21 219.656; 14.574; 17.635
90; 90; 90
2481.7Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan
Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.
The Journal of organic chemistry, 2020, 85, 8360-8370
4038512 CIFC24 H25 B Br3 F2 N3P 1 21/c 112.489; 11.29; 18.975
90; 104.119; 90
2594.7Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan
Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.
The Journal of organic chemistry, 2020, 85, 8360-8370
4038513 CIFC22 H23 B F2 N3P -110.9684; 17.472; 18.559
114.162; 102.168; 93.667
3126.8Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan
Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.
The Journal of organic chemistry, 2020, 85, 8360-8370
4038514 CIFC30 H29 B Br2 Cl F2 N3P 21 21 218.7637; 17.0551; 20.6021
90; 90; 90
3079.3Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan
Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.
The Journal of organic chemistry, 2020, 85, 8360-8370
4038515 CIFC30 H30 B F2 N3C 1 2/c 116.8071; 19.0449; 16.4613
90; 98.752; 90
5207.7Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan
Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.
The Journal of organic chemistry, 2020, 85, 8360-8370
4038516 CIFC31 H24 Cl N O4P 1 21/n 19.7883; 26.2735; 10.597
90; 112.636; 90
2515.3Zimnitskiy, Nikolay S.; Denikaev, Andrey D.; Barkov, Alexey Y.; Kutyashev, Igor B.; Korotaev, Vladislav Y.; Sosnovskikh, Vyacheslav Y.
Catalyst-free Tandem 1,3-Dipolar Cycloaddition/Aldol Condensation: Diastereoselective Construction of the Azatetraquinane Skeleton.
The Journal of organic chemistry, 2020, 85, 8683-8694
4038517 CIFC27 H38 N2 O2 SiP -18.8912; 11.9339; 12.6741
85.22; 74.19; 80.966
1276.72Pati, Tanmay K.; Ajarul, Sk; Kundu, Mrinalkanti; Tayde, Deepak; Khamrai, Uttam; Maiti, Dilip K.
Synthesis of Functionalized Arylacetamido-2-pyridones through <i>ortho</i>-C(sp<sup>2</sup>)-H-Activated Installation of Olefins and Alkynes.
The Journal of organic chemistry, 2020, 85, 8563-8579
4038518 CIFC27 H22P 1 21/n 18.2882; 11.6286; 19.897
90; 100.909; 90
1883Nishida, Masaki; Lee, Donghyeon; Shintani, Ryo
Intermolecular Three-Component Synthesis of Fluorene Derivatives by a Rhodium-Catalyzed Stitching Reaction/Remote Nucleophilic Substitution Sequence.
The Journal of organic chemistry, 2020, 85, 8489-8500
4038519 CIFC31 H27 Cl N2 O2C 1 2/c 121.532; 8.0393; 29.212
90; 99.5823; 90
4986.1Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank
Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.
The Journal of organic chemistry, 2020, 85, 8544-8552
4038520 CIFC31 H27 Br N2 O2P 21 21 2115.5188; 21.4989; 7.5658
90; 90; 90
2524.2Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank
Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.
The Journal of organic chemistry, 2020, 85, 8544-8552
4038521 CIFC17 H16 O6I 1 2/a 113.718; 8.7102; 25.568
90; 95.537; 90
3040.8Wang, Yu-Jiao; Wang, Tong-Tong; Yao, Lan; Wang, Qian-Long; Zhao, Li-Ming
Access to 4-Alkenylated Coumarins via Ruthenium-Catalyzed Olefinic C-H Alkenylation of Coumarins with Modifiable and Removable Directing Groups.
The Journal of organic chemistry, 2020
4038523 CIFC52 H56 N16 O8C 1 c 123.264; 18.39; 17.423
90; 127.66; 90
5901Mohite, Amar Ramchandra; Reany, Ofer
Inherently Chiral Bambus[4]urils.
The Journal of organic chemistry, 2020
4038524 CIFC19 H17 N O3P 21 21 215.41; 12.802; 22.803
90; 90; 90
1579.3Xiong, Cheng; Cheng, Kunpeng; Wang, Jiahua; Yang, Fulai; Lu, Jinrong; Zhou, Qingfa
Iodine-Catalyzed Aerobic Oxidation of Spirovinylcyclopropyl Oxindoles to Form Spiro-1,2-dioxolanes Diastereoselectively.
The Journal of organic chemistry, 2020
4038525 CIFC13 H9 I3 O3P 1 21/c 18.694; 20.9333; 9.0103
90; 106.693; 90
1570.7Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.
Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.
The Journal of organic chemistry, 2020
4038526 CIFC16 H16 I N O3P n a 218.2618; 43.8957; 4.20886
90; 90; 90
1526.37Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.
Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.
The Journal of organic chemistry, 2020
4038527 CIFC14 H14 I N3 O2P -17.2353; 9.1711; 12.0759
97.581; 106.756; 103.036
730.66Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.
Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.
The Journal of organic chemistry, 2020
4038528 CIFC22 H10 Co2 O9P -113.17979; 13.5664; 13.59048
105.804; 105.681; 105.509
2093.08Danilkina, Natalia A.; D'yachenko, Alexander; Govdi, Anastasia I.; Khlebnikov, Alexander F.; Kornyakov, Ilya; Bräse, Stefan; Balova, Irina A.
Intramolecular Nicholas Reactions in the Synthesis of Heteroenediynes fused to Indole, Triazole and Isocoumarin.
The Journal of organic chemistry, 2020
4038529 CIFC13 H13 N O5P 1 21/c 111.7637; 14.5153; 7.3338
90; 101.923; 90
1225.26Brahmachari, Goutam; Karmakar, Indrajit
Visible Light-Induced and Singlet Oxygen-Mediated Photochemical Conversion of 4-Hydroxy-alpha-benzopyrones to 2-Hydroxy-3-oxo-2,3-dihydrobenzofuran-2-carboxamides/carboxylates Using Rose Bengal as a Photosensitizer.
The Journal of organic chemistry, 2020

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