Crystallography Open Database

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1554403 CIFC14 H18 N2 O SP -15.5091; 7.2665; 16.992
80.823; 83.934; 78.863
656.9Dutta, Soumya; Mondal, Manas; Ghosh, Tubai; Saha, Amit
Unprecedented thiocarbamidation of nitroarenes: a facile one-pot route to unsymmetrical thioureas
Organic Chemistry Frontiers, 2019, 6, 70
1554419 CIFC20 H18P n a 2115.853; 12.375; 7.3639
90; 90; 90
1444.7Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.
Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism
Organic Chemistry Frontiers, 2019, 6, 134
1554420 CIFC20 H14 O4P 1 21/c 18.0844; 19.8817; 10.2123
90; 109.061; 90
1551.44Muthuramalingam, Somasundaram; Garg, Jai Anand; Karthick, R.; Fox, Thomas; Blacque, Olivier; Venkatesan, Koushik; Ramanathan, Saiganesh; Kabilan, Senthamaraikannan; Balasubramanian, K. K.
Nickel catalyzed synthesis of 4,4′-bichromenes/4,4′-bithiochromenes and their Atropisomerism
Organic Chemistry Frontiers, 2019, 6, 134
1554437 CIFC13 H13 N O4 SP 1 21/c 19.1009; 17.5658; 8.1862
90; 103.294; 90
1273.61Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung
Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones
Organic Chemistry Frontiers, 2019, 6, 183
1554438 CIFC13 H15 N O5 SP -17.2268; 9.0737; 10.4696
80.813; 84.674; 88.958
674.8Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung
Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones
Organic Chemistry Frontiers, 2019, 6, 183
1554439 CIFC13 H19 N O8 SP -17.2412; 9.7236; 11.4552
85.64; 87.406; 77.183
783.86Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung
Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones
Organic Chemistry Frontiers, 2019, 6, 183
1554440 CIFC16 H13 N O5 SP 1 21/n 16.6266; 18.2993; 11.8645
90; 99.67; 90
1418.3Kang, On-Yu; Park, Seong Jun; Ahn, Hyojung; Jeong, Kyung Chae; Lim, Hwan Jung
Structural assignment of the enol‒keto tautomers of one-pot synthesized 4-hydroxyquinolines/4-quinolones
Organic Chemistry Frontiers, 2019, 6, 183
1554446 CIFC31 H44 N3 P2 RhP 1 21/n 110.9778; 16.148; 17.5888
90; 106.231; 90
2993.7Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei
Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex
Organic Chemistry Frontiers, 2019, 6, 721
1554447 CIFC92 H120 N6 O3 P4 Rh2C 1 2/c 129.2408; 13.8295; 25.4214
90; 120.925; 90
8818.6Zhou, Chunhui; Hu, Jinsong; Wang, Yuan; Yao, Changguang; Chakraborty, Priyanka; Li, Huaifeng; Guan, Chao; Huang, Mei-Hui; Huang, Kuo-Wei
Selective carbonylation of benzene to benzaldehyde using a phosphorus‒nitrogen PN3P‒rhodium(i) complex
Organic Chemistry Frontiers, 2019, 6, 721
1554449 CIFC30 H37 I N2 RuP -112.2395; 14.363; 18.399
89.442; 89.312; 88.419
3232.9Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis
Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines
Organic Chemistry Frontiers, 2019, 6, 563
1554450 CIFC27 H31 I N2 RuP 1 21/n 115.329; 7.7727; 21.254
90; 95.269; 90
2521.7Wu, Xuan-Jun; Wang, Hua-Jing; Yang, Zhao-Qi; Tang, Xiao-Sheng; Yuan, Ye; Su, Wei; Chen, Cheng; Verpoort, Francis
Efficient and phosphine-free bidentate N-heterocyclic carbene/ruthenium catalytic systems for the dehydrogenative amidation of alcohols and amines
Organic Chemistry Frontiers, 2019, 6, 563
1554463 CIFC27 H25 N O3 SP -18.892; 9.668; 13.91
86.33; 86.29; 67.91
1105Beltran, Frédéric; Andna, Lucile; Miesch, Laurence
Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts
Organic Chemistry Frontiers, 2019, 6, 373
1554464 CIFC22 H25 N O3 SP -17.6023; 7.8229; 16.7412
85.307; 84.129; 85.07
984.06Beltran, Frédéric; Andna, Lucile; Miesch, Laurence
Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts
Organic Chemistry Frontiers, 2019, 6, 373
1554465 CIFC28 H27 N O3 SP 1 21/c 110.5059; 11.5524; 19.3292
90; 99.812; 90
2311.6Beltran, Frédéric; Andna, Lucile; Miesch, Laurence
Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts
Organic Chemistry Frontiers, 2019, 6, 373
1554466 CIFC25 H29 N O3 SP 1 21/n 18.6751; 21.9074; 12.355
90; 107.893; 90
2234.5Beltran, Frédéric; Andna, Lucile; Miesch, Laurence
Spirocyclization of keto-ynesulfonamides promoted by quaternary ammonium salts
Organic Chemistry Frontiers, 2019, 6, 373
1554485 CIFC20 H24 O5P 21 21 216.1036; 12.5506; 21.976
90; 90; 90
1683.45Yang, Qian; Hu, Kun; Yan, Bing-Chao; Liu, Miao; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin
Maoeriocalysins A‒D, four novel ent-kaurane diterpenoids from Isodon eriocalyx and their structure determination utilizing quantum chemical calculation in conjunction with quantitative interproton distance analysis
Organic Chemistry Frontiers, 2019, 6, 45
1554489 CIFC10 H8 F N3P b c a7.4865; 11.7277; 20.913
90; 90; 90
1836.1Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Organic Chemistry Frontiers, 2019, 6, 426
1554490 CIFC16 H12 F N5 O2P 1 21/c 18.4745; 13.483; 12.5515
90; 96.566; 90
1424.7Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Organic Chemistry Frontiers, 2019, 6, 426
1554491 CIFC10 H8 F N3P 1 21/n 16.185; 7.487; 18.728
90; 96.138; 90
862.3Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Organic Chemistry Frontiers, 2019, 6, 426
1554492 CIFC70 H56 Ag5 Cl2 N6 P4A e a 227.38; 26.9; 24.03
90; 90; 90
17699Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming
Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives
Organic Chemistry Frontiers, 2019, 6, 426
1554493 CIFC20 H14 N2P -13.9188; 12.5127; 15.3057
101.08; 96.416; 92.665
730.13Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong
ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes
Organic Chemistry Frontiers, 2019, 6, 432
1554494 CIFC22 H19 N3P 1 21/c 110.5762; 7.8869; 19.9879
90; 91.535; 90
1666.7Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong
ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes
Organic Chemistry Frontiers, 2019, 6, 432
1554495 CIFC25 H20 N4 O2P -19.1577; 10.7173; 13.3021
106.893; 91.497; 91.349
1248.12Chang, Yu-Che; Prakash, Sekar; Cheng, Chien-Hong
ReI-Catalyzed highly regio- and stereoselective C‒H addition to terminal and internal alkynes
Organic Chemistry Frontiers, 2019, 6, 432
1554496 CIFC30 H25 N O3P 1 21 18.5256; 16.9053; 8.9274
90; 112.31; 90
1190.37Xu, Jianfeng; Peng, Jingyi; He, Chonglong; Ren, Hongjun
N-Heterocyclic carbene catalyzed chemo- and enantioselective cross-benzoin reaction of aldehydes with isatins
Organic Chemistry Frontiers, 2019, 6, 172
1554497 CIFC18 H12 Cl3 O P S3C 1 2/c 112.268; 8.6753; 37.965
90; 92.878; 90
4035.5Lu, Guozhang; Chen, Jun; Huangfu, Xinlei; Li, Xueyan; Fang, Meijuan; Tang, Guo; Zhao, Yufen
Visible-light-mediated direct synthesis of phosphorotrithioates as potent anti-inflammatory agents from white phosphorus
Organic Chemistry Frontiers, 2019, 6, 190
1554498 CIFC38 H42 Cl2 O7C 1 2 125.2058; 7.2704; 19.2306
90; 105.306; 90
3399.1Fan, Jian-Hong; Hu, Ya-Jian; Guo, Qiang; Li, Shaoping; Zhao, Jing; Li, Chuang-Chuang
Asymmetric synthesis of the tetracyclic core of bufogargarizin C by an intramolecular [5 + 2] cycloaddition
Organic Chemistry Frontiers, 2019, 6, 22
1554499 CIFC27 H22 N O2 PP 1 21 17.8836; 12.2399; 11.1988
90; 90.174; 90
1080.62Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping
Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides
Organic Chemistry Frontiers, 2019, 6, 236
1554500 CIFC27 H22 N O2 PP 16.0253; 9.0011; 10.3679
75.005; 76.437; 89.09
527.4Zhang, Dong-Liang; Li, Cheng-Kun; Zeng, Run-Sheng; Shoberu, Adedamola; Zou, Jian-Ping
Manganese(iii)-mediated selective phosphorylation of enamides: direct synthesis of β-phosphoryl enamides
Organic Chemistry Frontiers, 2019, 6, 236
1554501 CIFC19 H15 F3 O4C 1 2/c 123.47; 9.9387; 17.2934
90; 123.484; 90
3364.4Chen, Yueji; You, Yi; Weng, Zhiqiang
Syntheses of 2-(2,2,2-trifluoroethylidene)/(2,2-difluoroethyl)-1,3-dicarbonyl compounds and their fungicidal activities
Organic Chemistry Frontiers, 2019, 6, 213
1554502 CIFC17 H12 Br2 F2 O2P 1 21/c 113.7491; 5.8303; 21.42
90; 105.814; 90
1652.1Chen, Yueji; You, Yi; Weng, Zhiqiang
Syntheses of 2-(2,2,2-trifluoroethylidene)/(2,2-difluoroethyl)-1,3-dicarbonyl compounds and their fungicidal activities
Organic Chemistry Frontiers, 2019, 6, 213
1554503 CIFC22 H21 N O5P 21 21 221.2879; 7.5138; 11.5723
90; 90; 90
1851.02Shoji, Taku; Araki, Takanori; Iida, Nanami; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Okujima, Tetsuo
Synthesis of azulenophthalimides by phosphine-mediated annulation of 1,2-diformylazulenes with maleimides
Organic Chemistry Frontiers, 2019, 6, 195
1554504 CIFC68 H68 Cl6 N4 O10 P2R -3 :H25.2081; 25.2081; 30.11
90; 90; 120
16570Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554505 CIFC66 H66 I N2 O4 P2C 1 2/c 119.7346; 19.9943; 14.9829
90; 110.36; 90
5542.6Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554506 CIFC34 H34 Br Cl3 N O2 PP 1 21/c 110.967; 15.8648; 20.3172
90; 105.084; 90
3413.2Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554507 CIFC66 H66 F6 N2 O4 P3C 1 2/c 119.664; 19.9512; 15.5025
90; 111.125; 90
5673.2Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554508 CIFC66 H66 Cl N2 O7.33 P2R -3 :H24.8062; 24.8062; 30.0418
90; 90; 120
16009.5Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554509 CIFC74 H86 F12 N2 O6 P4P b c a15.5817; 20.6208; 22.0566
90; 90; 90
7086.9Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554510 CIFC66 H66 N2 O4 P2P 1 21/c 114.2234; 15.5567; 12.5242
90; 108.744; 90
2624.2Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554511 CIFC66 H66 Br N2 O4 P2R -3 :H24.7543; 24.7543; 30.0212
90; 90; 120
15931.6Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
Organic Chemistry Frontiers, 2019, 6, 110
1554512 CIFC12 H17 N SP 1 21/c 16.3585; 10.945; 17.5672
90; 92.051; 90
1221.78Lai, Miao; Wu, Zhiyong; Wang, Yizhi; Zheng, Ying; Zhao, Mingqin
Selective synthesis of aryl thioamides and aryl-α-ketoamides from α-oxocarboxylic acids and tetraalkylthiuram disulfides: an unexpected chemoselectivity from aryl sulfonyl chlorides
Organic Chemistry Frontiers, 2019, 6, 506
1554513 CIFC21 H19 Br O3P 21 21 2110.687; 12.035; 14.902
90; 90; 90
1917Huang, Huicai; Lu, Xue; Mao, Yukang; Ye, Jinxing
Asymmetric synthesis of highly functionalized furanones via direct Michael reactions mediated by a bulky primary amine
Organic Chemistry Frontiers, 2019, 6, 1080
1554514 CIFC17 H20 O3P 21 21 2110.4344; 11.4942; 11.5277
90; 90; 90
1382.58Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang
Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis
Organic Chemistry Frontiers, 2019, 6, 290
1554515 CIFC20 H20 O3P -18.431; 8.6965; 11.7742
80.603; 87.055; 65.92
777.47Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang
Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis
Organic Chemistry Frontiers, 2019, 6, 290
1554516 CIFC25 H21 F O3P 1 21/c 19.8733; 10.3877; 37.781
90; 96.893; 90
3846.8Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang
Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis
Organic Chemistry Frontiers, 2019, 6, 290
1554517 CIFC19 H16 O2F d d 223.63; 42.848; 5.8546
90; 90; 90
5927.8Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua
Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds
Organic Chemistry Frontiers, 2019, 6, 437
1554518 CIFC20 H18 O3P 1 21/c 110.476; 15.249; 11.317
90; 116.28; 90
1621Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua
Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds
Organic Chemistry Frontiers, 2019, 6, 437
1554519 CIFC23 H21 N O3 SI 1 a 18.3257; 15.1988; 16.3404
90; 95.005; 90
2059.8Zhu, Tong-Hao; Zhang, Xiao-Chen; Zhao, Kai; Loh, Teck-Peng
Cu(OTf)2-mediated C(sp2)‒H arylsulfonylation of enamides via the insertion of sulfur dioxide
Organic Chemistry Frontiers, 2019, 6, 94
1554520 CIFC23 H25 N3 O3P 21 21 2111.8106; 12.5767; 26.9924
90; 90; 90
4009.4Luo, Xiaowei; Chen, Chunmei; Tao, Huaming; Lin, Xiuping; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong
Structurally diverse diketopiperazine alkaloids from the marine-derived fungus Aspergillus versicolor SCSIO 41016
Organic Chemistry Frontiers, 2019, 6, 736
1554521 CIFC20 H23 N2 O3 PP -19.115; 9.448; 11.944
101.46; 91.031; 106.62
962.9Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu
Highly selective C‒H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines
Organic Chemistry Frontiers, 2019, 6, 393
1554522 CIFC18 H20 N O3 PP 1 c 17.6453; 11.642; 9.808
90; 102.969; 90
850.7Yang, Qiaolan; Wu, Chenglin; Zhou, Jianhui; He, Guoxue; Liu, Hong; Zhou, Yu
Highly selective C‒H bond activation of N-arylbenzimidamide and divergent couplings with diazophosphonate compounds: a catalyst-controlled selective synthetic strategy for 3-phosphorylindoles and 4-phosphorylisoquinolines
Organic Chemistry Frontiers, 2019, 6, 393
1554523 CIFC30 H40 N6 O12C 1 2/c 127.337; 6.1593; 20.343
90; 106.22; 90
3288.9Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel
Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water
Organic Chemistry Frontiers, 2019, 6, 75
1554524 CIFC30 H36 N6 O10P 1 21/n 16.8698; 14.4541; 14.7842
90; 95.204; 90
1461.97Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel
Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water
Organic Chemistry Frontiers, 2019, 6, 75
1554525 CIFC26 H38 N6 O9 S2P n a 2115.1627; 6.4915; 29.4057
90; 90; 90
2894.4Savastano, Matteo; Bazzicalupi, Carla; García-Gallarín, Celeste; López de la Torre, Maria Dolores; Bianchi, Antonio; Melguizo, Manuel
Supramolecular forces and their interplay in stabilizing complexes of organic anions: tuning binding selectivity in water
Organic Chemistry Frontiers, 2019, 6, 75
1554526 CIFC21 H28 N2 O8P 1 21 111.4833; 7.3773; 13.116
90; 96.533; 90
1103.92Ma, Qiaoning; Yang, Xiaodi; Lei, Xinsheng; Lin, Guo-Qiang
A highly enantioselective synthetic method towards the α2c-adrenoceptor antagonist ORM-10921
Organic Chemistry Frontiers, 2019, 6, 773
1554527 CIFC32 H34 Br0 Cl N O4P 21 21 216.1903; 13.744; 32.103
90; 90; 90
2731.3Ma, Qiaoning; Yang, Xiaodi; Lei, Xinsheng; Lin, Guo-Qiang
A highly enantioselective synthetic method towards the α2c-adrenoceptor antagonist ORM-10921
Organic Chemistry Frontiers, 2019, 6, 773
1554528 CIFC5 H4 F N5 O6P -17.976; 8.218; 15.344
94.059; 104.85; 97.364
958.5Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.
N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design
Organic Chemistry Frontiers, 2019, 6, 249
1554529 CIFC5 H4 F N5 O6P 1 21 15.4659; 10.477; 8.1322
90; 94.857; 90
464.03Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.
N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design
Organic Chemistry Frontiers, 2019, 6, 249
1554530 CIFC3 H3 F N6 O4P n a 2111.4331; 5.7212; 11.2434
90; 90; 90
735.44Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.
N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design
Organic Chemistry Frontiers, 2019, 6, 249
1554531 CIFC5 H4 F N5 O6P b c a6.6055; 11.5186; 23.4809
90; 90; 90
1786.57Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.
N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design
Organic Chemistry Frontiers, 2019, 6, 249
1554532 CIFC19 H15 N O3P c a 2114.3845; 4.3448; 23.199
90; 90; 90
1449.9Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung
Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides
Organic Chemistry Frontiers, 2019, 6, 226
1554533 CIFC19 H15 N O2P 1 c 121.0827; 8.2829; 8.2169
90; 95.222; 90
1428.93Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung
Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides
Organic Chemistry Frontiers, 2019, 6, 226
1554534 CIFC28 H33 Au Cl O2 PP -19.2179; 10.4777; 14.2247
100.062; 92.031; 103.287
1312.41Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung
Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides
Organic Chemistry Frontiers, 2019, 6, 226
1554535 CIFC33 H32 Cl N O9P 21 21 2111.0158; 12.13; 23.587
90; 90; 90
3151.7Cao, Jian; Liu, Jin-Yu; Zhang, Yi-Ming; Wang, Zhu-Yin; Xu, Peng-Fei
Synergistic promotion by intramolecular hydrogen bonding: a bi-functionally catalyzed cascade reaction for the synthesis of enantiopure chromenopyrrolidines
Organic Chemistry Frontiers, 2019, 6, 674
1554536 CIFC20 H15 Br2 N O2P c a 217.0667; 23.0878; 21.9663
90; 90; 90
3583.9Liu, Zhenhua; Zhu, Guangyu; Gao, Wen; Yang, Lin; Ji, Huimin; Tong, Lili; Tang, Bo
Copper-catalyzed regioselective cyclization of vinyl azides by gem-difluoromethylene for trisubstituted pyridines
Organic Chemistry Frontiers, 2019, 6, 468
1554537 CIFC17 H17 Br N4 OP -15.2572; 12.458; 13.205
69.94; 83.57; 89.74
806.7Lemport, Pavel S.; Smolyar, Ivan V.; Khrustalev, Victor N.; Roznyatovsky, Vitaly A.; Popov, Alexander V.; Kobelevskaya, Valentina A.; Rozentsveig, Igor B.; Nenajdenko, Valentine G.
3,3-Diazidoenones ‒ new types of highly reactive bis-azides. Preparation and synthetic transformations
Organic Chemistry Frontiers, 2019, 6, 335
1554538 CIFC27 H21 N2 O PP 1 21/c 112.429; 10.415; 37.841
90; 90.13; 90
4898.4Lemport, Pavel S.; Smolyar, Ivan V.; Khrustalev, Victor N.; Roznyatovsky, Vitaly A.; Popov, Alexander V.; Kobelevskaya, Valentina A.; Rozentsveig, Igor B.; Nenajdenko, Valentine G.
3,3-Diazidoenones ‒ new types of highly reactive bis-azides. Preparation and synthetic transformations
Organic Chemistry Frontiers, 2019, 6, 335
1554539 CIFC34 H44 N2 O SiP -18.8134; 10.3559; 18.035
100.993; 95.022; 92.933
1605.78Chen, Cui-Hong; Chai, Yun; Zhou, Zheng-Xin; Rao, Wei-Hao; Liu, Bin; Liu, Li; Xu, Ran; Liu, Yue-Jin; Zeng, Ming-Hua
Room-temperature Pd(ii)-catalyzed direct C‒H TIPS-ethynylation of phenylacetic amides with terminal alkynes
Organic Chemistry Frontiers, 2019, 6, 442
1554540 CIFC35 H30P m n 2144.902; 11.1591; 10.6337
90; 90; 90
5328.2Liu, Peiren; Li, Qi; Zeng, Hong; Shi, Bingbing; Liu, Jiyong; Huang, Feihe
[15]Paracyclophane and [16]paracyclophane: facile syntheses, crystal structures and selective complexation with cesium cations in the gas phase
Organic Chemistry Frontiers, 2019, 6, 309
1554541 CIFC42 H36P -111.372; 13.1796; 24.509
105.144; 93.375; 90.36
3538.8Liu, Peiren; Li, Qi; Zeng, Hong; Shi, Bingbing; Liu, Jiyong; Huang, Feihe
[15]Paracyclophane and [16]paracyclophane: facile syntheses, crystal structures and selective complexation with cesium cations in the gas phase
Organic Chemistry Frontiers, 2019, 6, 309
1554542 CIFC42 H54 O6 S2 SeP -114.2625; 18.0213; 31.3062
86.466; 83.674; 83.298
7933.2Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng
Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity
Organic Chemistry Frontiers, 2019, 6, 263
1554543 CIFC42 H54 O8 S2 SeP 1 21/n 117.4194; 8.2052; 28.3968
90; 90.166; 90
4058.73Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng
Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity
Organic Chemistry Frontiers, 2019, 6, 263
1554544 CIFC42 H54 O6 Se Te2P -112.1441; 16.8305; 20.8669
98.844; 91.448; 102.981
4098.7Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng
Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity
Organic Chemistry Frontiers, 2019, 6, 263
1554545 CIFC42 H54 O6 S Se2P -114.2879; 18.0394; 31.4094
86.414; 83.365; 83.373
7977.7Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng
Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity
Organic Chemistry Frontiers, 2019, 6, 263
1554546 CIFC24 H19 Br N2 OP 1 21/c 113.0718; 15.5471; 10.5005
90; 113.181; 90
1961.7Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying
Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles
Organic Chemistry Frontiers, 2019, 6, 256
1554547 CIFC24 H19 Cl N2 OP 1 21/c 112.9966; 15.5319; 10.522
90; 113.397; 90
1949.3Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying
Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles
Organic Chemistry Frontiers, 2019, 6, 256
1554548 CIFC16 H14 Cl N O2P 21 21 219.5976; 10.3316; 13.9249
90; 90; 90
1380.8Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying
Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles
Organic Chemistry Frontiers, 2019, 6, 256
1554549 CIFC19 H16 N2 OP -18.802; 9.9463; 10.213
116.522; 100.853; 103.243
734.13Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying
Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles
Organic Chemistry Frontiers, 2019, 6, 256
1554550 CIFC19 H19 Cl2 N O4C 1 2/c 133.58; 13.96; 8.0737
90; 100.506; 90
3721.3Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying
Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles
Organic Chemistry Frontiers, 2019, 6, 256
1554551 CIFC13 H22 O2P b c a11.8513; 8.0917; 24.6768
90; 90; 90
2366.4He, Min; Yi, Jiuzhou; Zhao, Gaoyuan; Chen, Peiqi; Long, Dan; Hu, Xiaojun; Li, Huilin; Xie, Xingang; Wang, Xiaolei; She, Xuegong
A concise approach to the tricyclic framework of longipinane- and ent-longipinane-type sesquiterpenoids
Organic Chemistry Frontiers, 2019, 6, 383
1554552 CIFC25 H24 O5 SP 1 21 19.1789; 10.574; 11.4116
90; 91.684; 90
1107.11Zhang, Nan; He, Tingting; Liu, Yidong; Li, Shan; Tan, Yu; Peng, Lei; Li, Dongmei; Shan, Chunhui; Yan, Hailong
Organocatalytic atropo- and E/Z-selective Michael addition reaction of ynones with α-amido sulfones as sulfone-type nucleophile
Organic Chemistry Frontiers, 2019, 6, 451
1554553 CIFC12 H10 F3 N O6 SeP -19.809; 9.877; 9.925
66.084; 65.463; 64.347
758.1Ge, Hangming; Shen, Qilong
Trifluoromethyl-substituted selenium ylide: a broadly applicable electrophilic trifluoromethylating reagent
Organic Chemistry Frontiers, 2019, 6, 2205
1554554 CIFC20 H29 N O SP 1 21 110.5315; 7.0899; 12.4878
90; 105.29; 90
899.43Qin, Shuanglin; Liu, Tongtong; Luo, Yunhao; Jiang, Shende; Yang, Guang
Diastereoselective Rh-catalyzed decarboxylative allylation to form quaternary stereocenters using sulfinimine as the directing group
Organic Chemistry Frontiers, 2019, 6, 732
1554555 CIFC26 H31 N3 SiC 1 2/c 141.982; 8.4505; 16.3226
90; 123.085; 90
4851.8Wu, Wanqing; Fang, Songjia; Jiang, Guangbin; Li, Meng; Jiang, Huanfeng
Palladium-catalyzed regioselective C‒H alkynylation of indoles with bromoalkynes in water
Organic Chemistry Frontiers, 2019, 6, 2200
1554556 CIFC30 H25 N O2P 1 21/c 15.7768; 26.401; 15.2336
90; 95.248; 90
2313.6Ji, Cheng-Long; Pan, Yao; Geng, Fang-Zhou; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo
Synergistic silver/scandium catalytic spiroketalization of β-alkynyl ketones for the atom economical synthesis of skeletally diverse spirocyclic isochromenes
Organic Chemistry Frontiers, 2019, 6, 474
1554557 CIFC21 H21 N O2 SC 1 2/c 131.1655; 8.4946; 13.3472
90; 98.752; 90
3492.37Wu, Feng; Chen, Lianfen; Wang, Yongdong; Zhu, Shifa
Gold-catalyzed generation of azafulvenium from an enyne sulfonamide: rapid access to fully substituted pyrroles
Organic Chemistry Frontiers, 2019, 6, 480
1554558 CIFC21 H18 Br N O3 SP 1 21/n 18.6549; 18.21; 11.9124
90; 94.769; 90
1870.96Wu, Feng; Chen, Lianfen; Wang, Yongdong; Zhu, Shifa
Gold-catalyzed generation of azafulvenium from an enyne sulfonamide: rapid access to fully substituted pyrroles
Organic Chemistry Frontiers, 2019, 6, 480
1554559 CIFC28 H36 N2 O2 SiP -19.7904; 10.7882; 12.3517
83.891; 69.723; 84.499
1214.36Kong, De-Shen; Wang, Yi-Fan; Tan, Yun-Xuan; Zhang, Jun-Li; Zhang, Jian-Ge; Tian, Ping; Lin, Guo-Qiang
Trisannulation of benzamides and cyclohexadienone-tethered 1,1-disubstituted allenes initiated by Cp*Rh(iii)-catalyzed C‒H activation
Organic Chemistry Frontiers, 2019, 6, 699
1554560 CIFC27 H31 N O4 SiP -19.9601; 10.6766; 11.8691
74.393; 85.571; 88.958
1211.99Kong, De-Shen; Wang, Yi-Fan; Tan, Yun-Xuan; Zhang, Jun-Li; Zhang, Jian-Ge; Tian, Ping; Lin, Guo-Qiang
Trisannulation of benzamides and cyclohexadienone-tethered 1,1-disubstituted allenes initiated by Cp*Rh(iii)-catalyzed C‒H activation
Organic Chemistry Frontiers, 2019, 6, 699
1554561 CIFC31 H26 Cl2 N4 O4 S2P 1 21/c 18.24; 10.3859; 17.7438
90; 95.373; 90
1511.84Han, Shuaijun; Gao, Xianying; Wu, Qingsong; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie
Nickel-promoted C(2)‒H amidation of quinoline N-oxides with N-fluorobenzenesulfonimide
Organic Chemistry Frontiers, 2019, 6, 830
1554562 CIFC25.5 H28 Cl N4 O2.5 PdP n a 2125.795; 9.144; 21.256
90; 90; 90
5013.6Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin
Practical synthesis of polysubstituted unsymmetric 1,10-phenanthrolines by palladium catalyzed intramolecular oxidative cross coupling of C(sp2)–H and C(sp3)–H bonds of carboxamides
Organic Chemistry Frontiers, 2019, 6, 544
1554563 CIFC18 H11 Br N2C 1 2/c 126.203; 10.644; 30.852
90; 106.633; 90
8245Sun, Wen-Wu; Liu, Ji-Kai; Wu, Bin
Practical synthesis of polysubstituted unsymmetric 1,10-phenanthrolines by palladium catalyzed intramolecular oxidative cross coupling of C(sp2)‒H and C(sp3)‒H bonds of carboxamides
Organic Chemistry Frontiers, 2019, 6, 544
1554564 CIFC16 H18 O2 SP 1 21 15.712; 15.28; 8.28
90; 104.192; 90
700.6Sun, Yongjie; Jiang, Jun; Guo, Xiaochong; Wen, Jialin; Zhang, Xumu
Asymmetric hydrogenation of α,β-unsaturated sulfones by a rhodium/thiourea‒bisphosphine complex
Organic Chemistry Frontiers, 2019, 6, 1438
1554565 CIFC32 H27 N O4 SP 43 21 213.6813; 13.6813; 29.053
90; 90; 90
5438.1Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song
Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones
Organic Chemistry Frontiers, 2019, 6, 405
1554566 CIFC33 H29 N O4 SP 21 21 2111.043; 14.753; 17.258
90; 90; 90
2811.6Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song
Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones
Organic Chemistry Frontiers, 2019, 6, 405
1554567 CIFC22 H24 O7P -19.1375; 13.1527; 16.354
95.187; 95.294; 103.04
1894.04Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin
Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae
Organic Chemistry Frontiers, 2019, 6, 591
1554568 CIFC18 H17 Cl3 O5P 1 2 113.8718; 9.6965; 13.8978
90; 92.204; 90
1867.98Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin
Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae
Organic Chemistry Frontiers, 2019, 6, 591
1554569 CIFC172 H203 N13 O10 P2C 1 2/c 121.469; 29.096; 28.543
90; 95.17; 90
17757Lee, Chaeeun; Lee, Hyemi; Lee, Seungwon; Jeon, Hae-Geun; Jeong, Kyu-Sung
Encapsulation of dihydrogenphosphate ions as a cyclic dimer to the cavities of site-specifically modified indolocarbazole-pyridine foldamers
Organic Chemistry Frontiers, 2019, 6, 299
1554570 CIFC173 H203 N13 O10 P2C 1 2/c 121.505; 29.114; 28.751
90; 94.83; 90
17937Lee, Chaeeun; Lee, Hyemi; Lee, Seungwon; Jeon, Hae-Geun; Jeong, Kyu-Sung
Encapsulation of dihydrogenphosphate ions as a cyclic dimer to the cavities of site-specifically modified indolocarbazole-pyridine foldamers
Organic Chemistry Frontiers, 2019, 6, 299
1554571 CIFC12 H12 N2 O2 SP 1 21/c 18.968; 9.084; 14.804
90; 105.357; 90
1163Zu, Weisai; Liu, Shuai; Jia, Xin; Xu, Liang
Chemoselective N-arylation of aminobenzene sulfonamides via copper catalysed Chan‒Evans‒Lam reactions
Organic Chemistry Frontiers, 2019, 6, 1356
1554572 CIFC19 H15 N O2 SP 1 21 18.0275; 8.0254; 12.699
90; 101.787; 90
800.9Zhao, Zi-Biao; Shi, Lei; Meng, Fan-Jie; Li, Yaming; Zhou, Yong-Gui
Synthesis of chiral seven-membered cyclic sulfonamides through palladium-catalyzed arylation of cyclic imines
Organic Chemistry Frontiers, 2019, 6, 1572

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