化学科研者一站式服务平台
-
3-[[[2-[[(4-氰基苯基)氨基]甲基]-1-甲基-1H-苯并咪唑-5-基]羰基]吡啶-2-基氨基]丙酸乙酯
ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
化合物简介
Nonpeptide thrombin inhibitor intermediate.
基本信息
CAS:211915-84-3
中文别名:N-[[2-[[(4-氰基苯)胺]甲基]-1甲基-1H-5-苯并咪唑]羰基]3-氨基苯酰基]N-2-吡啶基-b-丙氨酸乙酯;
英文别名:1-methyl-2-<2-methylthio-2-(4-methyl-1-piperazino)vinyl>-quinolinium iodide;1-methyl-2-[N-(4-cyanophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide;3-({2-[(4-cyano-phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-ylamino)propionic acid ethyl ester;ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate;ethyl 3-([2-[(4-cyanophenylamino)methyl]-1-methyl-1H-benzimidazole-5-carbonyl]pyridin-2-ylamino)propionate;3-[[2-[(4-cyanophenylamino)methyl]-1-methyl-1H-benzimidazole-5-carbonyl]pyridin-2-yl-amino]propionate;1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazole-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide;
分子式:C27H26N6O3
分子量:482.534
精确质量:482.207
Psa:113.14
Logp:4.12508
中文别名:N-[[2-[[(4-氰基苯)胺]甲基]-1甲基-1H-5-苯并咪唑]羰基]3-氨基苯酰基]N-2-吡啶基-b-丙氨酸乙酯;
英文别名:1-methyl-2-<2-methylthio-2-(4-methyl-1-piperazino)vinyl>-quinolinium iodide;1-methyl-2-[N-(4-cyanophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide;3-({2-[(4-cyano-phenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-ylamino)propionic acid ethyl ester;ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate;ethyl 3-([2-[(4-cyanophenylamino)methyl]-1-methyl-1H-benzimidazole-5-carbonyl]pyridin-2-ylamino)propionate;3-[[2-[(4-cyanophenylamino)methyl]-1-methyl-1H-benzimidazole-5-carbonyl]pyridin-2-yl-amino]propionate;1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazole-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide;
分子式:C27H26N6O3
分子量:482.534
精确质量:482.207
Psa:113.14
Logp:4.12508
编号系统
物化性质
密度:1.255 g/cm3
沸点:756.382ºC at 760 mmHg
折射率:1.64
蒸汽压:0mmHg at 25°C
沸点:756.382ºC at 760 mmHg
折射率:1.64
蒸汽压:0mmHg at 25°C
安全信息
生产方法及用途
用途
达比加群酯中间体。
达比加群酯中间体。
合成路线
上游原料
下游产品
图谱
1H NMR : Predict

13C NMR : Predict
