CAS: 480452-37-7; N1-((1S,2R,4S)-2-Amino-4-(Dimethylcarbamoyl)Cyclohexyl)-N2-(5-Chloropyridin-2-yl)Oxalamide

英文名称N1-((1S,2R,4S)-2-Amino-4-(Dimethylcarbamoyl)Cyclohexyl)-N2-(5-Chloropyridin-2-yl)Oxalamide
中文名称N1-((1S,2R,4S)-2-氨基-4-(二甲基氨基甲酰基)环己基)-N2-(5-氯吡啶-2-基)草酰胺(依度沙班杂质)
IUPAC名称N1-((1S,2R,4S)-2-amino-4-(dimethylcarbamoyl)cyclohexyl)-N2-(5-chloropyridin-2-yl)oxalamide
其它别名N1-(5-Chloropyridin-2-yl)-N2-((1S,2R,4S)-2-[(Tert-Butoxycarbonyl)Amino ]-4-[(Dimethylamino)Carbonyl]-Cyclohexyl) Oxalamide Dimethanesulfonate; Ethanediamide Impurity F; N1-{(1S,2R,4S)-2-Amino-4-[(Dimethylamino)Carbonyl]Cyclohexyl}-N2-(5-Chloropyridin-2-yl)Ethanediamide; Edoxaban-6; Edoxaban Impurity 14/n1-(5-Chloropyridin-2-yl)-N2-((1S,2R,4S)-2-[(Tert-Butoxy Carbonyl)Amino]-4-[(Dimethylamino)Carbonyl]-Cyclohexyl) Oxalamide Dimethanesulfonate; Edoxaban Impurities 6; Ethanediamide, N1-[(1S,2R,4S)-2-Amino-4-[(Dimethylamino)Carbonyl]Cyclohexyl]-N2-(5-Chloro-2-Pyridinyl)-; N1-((1S,2R,4S)-2-Amino-4-(Dimethylcarbamoyl)Cyclohexyl)-N2-(5-Chloropyridin-2-yl)Oxalamide (Edoxaban Impurity)
CAS编号480452-37-7
MFCD编号:MFCD30747786
FDA UNII编号:R3Y334K6PH
分子式:C16H22ClN5O3
分子量:367.83
产品CID: 1476078
产品分类有机原料

相似结构搜索
InChIKey: IZABLUDXAWYTNU-WCQGTBRESA-N
InChI=1S/C16H22ClN5O3/c1-22(2)16(25)9-3-5-12(11(18)7-9)20-14(23)15(24)21-13-6-4-10(17)8-19-13/h4,6,8-9,11-12H,3,5,7,18H2,1-2H3,(H,20,23)(H,1…
计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数3.0

相似化合物

480452-36-6 2803374-26-5 480452-37-7

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
UN编号3077

上下游产品

carbamic acid, N-[(1R,2S,5S)-2-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-5-[(dimethylamino)carbonyl]cyclohexyl]-1,1-dimethylethyl ester 5-chloro-2-pyridylamine 2-(tert-butoxycarbonyl)-4-(N,N-dimethylcarbamoyl)-1,2-cyclohexanediamine(1S,2R,4S)-N2-(tert-butoxycarbonyl)-4-(N,N-dimethylcarbamoyl)-1,2-cyclohexanediamine ethyl 2-((5-chloropyridin -2-yl)amino)-2-oxoacetateedoxaban [14C]-Edoxaban tosylate

合成工艺路线路线简述

合成目标产物 Ethanediamide Impurity F 主要起始原料 Ethanediamide Impurity D
(文献来源)合成步骤主要原料 Ethanediamide Impurity D

[(1R,2S,5S)-2-氨基-5-[(二甲基氨基)羰基]环己基]氨基甲酸叔丁酯置于甲烷磺酸,三乙胺体系中,用乙腈作为反应溶剂,化学反应生成依度沙班杂质f(单体)
参考文献:一种由三氯乙酮鎓盐衍生物制备依度沙班的方法
标题:一种由三氯乙酮鎓盐衍生物制备依度沙班的方法
摘要:本发明提供了用2,2,2‑三氯‑1‑(4,5,6,7‑四氢‑5‑甲基噻唑并[5,4‑c]吡啶鎓‑1‑基)乙酮氯化物制备依度沙班的方法.其中包括:2,2,2‑三氯‑1‑(4,5,6,7‑四氢‑5‑甲基噻唑并[5,4‑c]吡啶鎓‑1‑基)乙酮氯化物,即109C5‑11的制备方法;n1‑[(1S,2R,4S)‑2‑氨基‑4‑[(二甲氨基)羰基]环己基]‑n2‑(5‑氯‑2‑吡啶基)乙二酰胺双甲磺酸盐,即109T2‑31的制备方法;用109C5‑11作为酰化试剂与109T2‑31制备了依度沙班.新方法避免了现有工艺需使用昂贵的缩合剂edci.hcl以及活化剂hobt的缺点.本发明的新方法有利于更经济,更高效地实现工业化规模来生产对甲苯磺酸依度沙班水合物.

海关参考信息

2912110000-甲醛
2912120000-乙醛
2921211000-乙二胺
2924191000-二甲基甲酰胺
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专利信息

专利号:US-9809546-B2
优先权日:2016-03-14
标题 :Process for producing diamine derivative
发明人：LU TZU-CHIANG; CHEN CHIEN-YI; CHENG CHING-SHUEN; MAI CHIN-CHENG
权利人:CHUNGHWA CHEMICAL SYNTHESIS & BIOTECH CO LTD; CHUNGWHA CHEMICAL SYNTHESIS & BIOTECH CO LTD
摘要:The present invention provides a low-toxic and high-recovery industrial process for synthesizing an optically active diamine derivative represented by formula (D), the process comprising the steps of: (a) mixing a compound represented by formula (A) and a compound represented by formula (C) in organic solvents and secondary amine; (b) reaction under heating; (c) cooling and adding water to the mixed solution, allowing it to crystallize to obtain the compound represented by formula (D).

专利号:WO-2019004114-A1
优先权日:2017-06-26
标题 :Process for producing diamine derivative by flow synthesis
发明人：MICHIDA MAKOTO; ISHIKAWA HIDEAKI; TATEKABE SHINYA
权利人:DAIICHI SANKYO CO LTD
摘要:Providing a production method for efficiently synthesizing a compound (1-2) which is an important intermediate in the production of edoxaban By reacting a chlorosulfonyl isocyanate with an alcohol (2) using a flow reactor to give a tertiary amine Method for obtaining compound (1-2) by dropping compound (1-1) into solution A obtained by dropwise addition