CAS: 1151893-81-0; (S)-2-(2-(5-Chloro-N-(4-(5-((5-Chlorothiophene-2-Carboxamido)Methyl)-2-Oxooxazolidin-3-yl)Phenyl)Thiophene-2-Carboxamido)Ethoxy)Acetic Acid

该化合物是合成抗凝油剂Rivaroxaban的关键中间体,该产品具有高纯度和稳定性,确保高效和可靠的合成过程,其具体结构特征有助于开发具有减少副作用的强效抗凝油剂.

英文名称(S)-2-(2-(5-Chloro-N-(4-(5-((5-Chlorothiophene-2-Carboxamido)Methyl)-2-Oxooxazolidin-3-yl)Phenyl)Thiophene-2-Carboxamido)Ethoxy)Acetic Acid
中文名称利伐沙班杂质J
IUPAC名称(S)-2-(2-(5-chloro-N-(4-(5-((5-chlorothiophene-2-carboxamido)methyl)-2-oxooxazolidin-3-yl)phenyl)thiophene-2-carboxamido)ethoxy)acetic acid
其它别名Rivaroxaban Impurity 80; Rivaroxaban-10; Rivaroxaban Impurity 19/rivaroxaban Amine Impurity/(S)-2-(2-(5-Chloro-N-(4-(5-((5-Chlorothiophene-2-Carboxamido)Methyl)-2-Oxooxazolidin-3-yl)Phenyl)Thiophene-2-Carboxamido)Ethoxy)Acetic Acid; Rivaroxaban Impurity K: Diamine; (S)-2-(2-(5-Chloro-N-(4-(5-((5-Chlorothiophene-2-Carboxamido)Methyl)-2-Oxooxazolidin-3-yl)Phenyl)Thiophene-2-Carboxamido)Ethoxy)Acetic Acid; 2-[2-[[(5-Chloro-2-Thienyl)Carbonyl][4-[(5S)-5-[[[(5-Chloro-2-Thienyl)Carbonyl]Amino]Methyl]-2-Oxo-3-Oxazolidinyl]Phenyl]Amino]Ethoxy]Acetic Acid; Rivaroxaban Ep Impurity I; Acetic Acid, 2-[2-[[(5-Chloro-2-Thienyl)Carbonyl][4-[(5S)-5-[[[(5-Chloro-2-Thienyl)Carbonyl]Amino]Methyl]-2-Oxo-3-Oxazolidinyl]Phenyl]Amino]Ethoxy]-
CAS编号1151893-81-0
MFCD编号:MFCD28358887
FDA UNII编号:R7AV86WZ2E
分子式:C24H21Cl2N3O7S2
分子量:598.49
产品CID: 185856
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: XEOFNNZMYBBFPT-INIZCTEOSA-N
InChI=1S/C24H21Cl2N3O7S2/c25-19-7-5-17(37-19)22(32)27-11-16-12-29(24(34)36-16)15-3-1-14(2-4-15)28(9-10-35-13-21(30)31)23(33)18-6-8-20(26)38-…
计算化学: 氢键受体数9.0氢键供体数2.0可旋转键数11.0

物理性质

沸点843.9±65.0 °C(预测)
闪点464.2±34.3 °C
密度1.542±0.06 g/cm3(预测)
pKa:3.37±0.10(预测)
LogP:4.9
溶解性Chloroform, DMSO (Slightly), Methanol (Slightly)
外观形态白色至类白色固体
储存条件 Keep in dark place, inert atmosphere, 2-8°C

上下游产品

5-chlorothiophene-2-carbonyl chloride 2-({4-[(5S)-5-({[(5-chloro-2-thienyl)carbonyl]amino}methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-amino)ethoxyacetic acid hydr°Chloride 5-Chlorothiophene-2-carboxylic acid 4-di[(2-hydroxyethyl)amino]-aniline

合成工艺路线路线简述

合成目标产物 (S)-2-(2-(5-Chloro-N-(4-(5-((5-Chlorothiophene-2-Carboxamido)Methyl)-2-Oxooxazolidin-3-yl)Phenyl)Thiophene-2-Carboxamido)Ethoxy)Acetic Acid 主要起始原料 5-Chlorothiophene-2-Carbonyl Chloride And Rivaroxaban Impurity 25
(文献来源)合成步骤主要原料 5-Chlorothiophene-2-Carbonyl Chloride 和 Rivaroxaban Impurity 25

利伐沙班置于盐酸,溶剂黄146,三乙胺体系中,用二氯甲烷,水用作溶剂,化学反应 11.0H,反应生成利伐沙班杂质j
参考文献:一种利伐沙班相关物质二胺的合成方法
标题:一种利伐沙班相关物质二胺的合成方法
摘要:一种利伐沙班相关物质二胺,能作为研究,并控制利伐沙班的对照品,且制备方法简便,原料易得.其结构式为:分子式:C25H24Cl2N4O4S2,分子量为610.5.本发明的利伐沙班相关物质二胺,能作为监控利伐沙班杂质的对照品.本发明的利伐沙班相关物质二胺的合成方法,操作简单,具有很好的实用性,能够产生较好经济效益和社会效益.