CAS: 1052063-37-2; Ethyl (3R,4R,5S)-4-Acetylamino-5-Amino-3-(Sec-Butoxy)Cyclohex-1-Ene-1-Carboxylate

英文名称Ethyl (3R,4R,5S)-4-Acetylamino-5-Amino-3-(Sec-Butoxy)Cyclohex-1-Ene-1-Carboxylate
中文名称(3R,4R,5S)-4-(乙酰氨基)-5-氨基-3-(1-甲基丙氧基)-1-环己烯-1-羧酸乙酯
CAS编号1052063-37-2
MFCD编号:MFCD29919157
FDA UNII编号:797W095L6O
分子式:C15H26N2O4分子量:298.38
产品CID: 92474
产品分类分析化学 → 标准品

相似结构搜索
InChIKey: DVWBSYTVGZEABZ-IPCIMUCLSA-N
InChI=1S/C15H26N2O4/c1-5-9(3)21-13-8-11(15(19)20-6-2)7-12(16)14(13)17-10(4)18/h8-9,12-14H,5-7,16H2,1-4H3,(H,17,18)/t9?,12-,13+,14+/m0/s1
计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数7.0

物理性质

沸点462.1±45.0 °C(预测)
密度1.10±0.1 g/cm3(预测)
pKa:14.68±0.70(预测)
LogP:0.6
溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
外观形态白色至类白色固体

MSDS等安全信息

合成工艺路线路线简述

专利信息

专利号:US-8304553-B2
优先权日:2007-12-19
标题:Method of forming oseltamivir and derivatives thereof
发明人：LIU XUEWEI; MA JIMEI
权利人:LIU XUEWEI; MA JIMEI; UNIV NANYANG TECH
摘要:A process is provided for the synthesis of 4,5-diamino cyclohexene carboxylate ester (1): or a pharmaceutically acceptable salt thereof. R 1 -R 3 are a silyl-, an aliphatic, alicyclic, aromatic, arylaliphatic, or an arylalicyclic group. R 4 , R 11 and R 12 are H, a silyl-group, an aliphatic, alicyclic, aromatic, arylaliphatic, or an arylalicyclic group. 3,4-Dihydropyran compound (9): with R 5 and R 6 being suitable protecting groups, is reacted to form aldehyde (4): which is oxidized and converted to N-substituted carbamate (3): with R 7 being a suitable protecting group. (3) is, via oxazolinidone (13): converted to azido carboxylate ester (2): and then to 4,5-diamino cyclohexene carboxylate ester (1).

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主要参考文献

参考标题: Method Of Forming Oseltamivir And Derivatives Thereof Procédé De Formation D'Oseltamivir Et De Ses Dérivés Et Applications Correspondantes
摘要:A Process Is Provided For The Synthesis Of 4,5-Diamino Cyclohexene Carboxylate Ester (1): Or A Pharmaceutically Acceptable Salt Thereof. R1 - R3 Are A Silyl-, An Aliphatic, Alicyclic, Aromatic, Arylaliphatic, Or An Arylalicyclic Group. R4, R11 And R12 Are H, A Silyl-Group, An Aliphatic, Alicyclic, Aromatic, Arylaliphatic, Or An Arylalicyclic Group. 3,4-Dihydropyran Compound (9): With R5 And R6 Being Suitable Protecting Groups, Is Reacted To Form Aldehyde (4): Which Is Oxidized And Converted To N-Substituted Carbamate (3): With R7 Being A Suitable Protecting Group. (3) Is, Via Oxazolinidone (13): Converted To Azido Carboxylate Ester (2): And Then To 4,5-Diamino Cyclohexene Carboxylate Ester (1).