[1-(2-Amino-2-oxoethyl)cyclopropyl]methyl carbamimidothioate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [1-(2-Amino-2-oxoethyl)cyclopropyl]methyl carbamimidothioate
• 化学式: C₇H₁₃N₃OS
• 分子量: 187.27
• InChiKey: XLBOLKGDWUPJJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• Novel process for preparing 1-(mercaptomethyl)cyclopropaneacetic acid, a useful intermediate in the preparation of montelukast and salts thereof
  申请人：Wang Yanling

  公开号：US20070208177A1

  公开（公告）日：2007-09-06

  The present invention provides a novel montelukast intermediate and a simple and straightforward process for preparing it. According to the present invention, by using this intermediate and the process, essentially as described herein, montelukast acid and salts thereof are obtained.

  本发明提供了一种新型的蒙特卢卡斯中间体和一种简单直接的制备方法。根据本发明，通过使用本中间体和所述方法，可以获得蒙特卢卡斯酸及其盐，其基本上如此描述。
• PROCESS FOR THE PREPARATION OF 1-(MERCAPTOMETHYL)-CYCLOPROPANEACETIC ACID
  申请人：Delmar Chemicals Inc.

  公开号：EP1474386A1

  公开（公告）日：2004-11-10
• US6512140B1
  申请人：——

  公开号：US6512140B1

  公开（公告）日：2003-01-28
• US7572930B2
  申请人：——

  公开号：US7572930B2

  公开（公告）日：2009-08-11
• [EN] PROCESS FOR THE PREPARATION OF 1-(MERCAPTOMETHYL)-CYCLOPROPANEACETIC ACID<br/>[FR] PROCESSUS DESTINE A LA PREPARATION D'ACIDE 1-(MERCAPTOMETHYL)-CYCLOPROPANE-ACETIQUE
  申请人：DELMAR CHEMICALS INC

  公开号：WO2003066582A1

  公开（公告）日：2003-08-14

  A process for the preparation of highly pure 1-(mercaptomethyl)-cyclopropaneacetic acid is described. Treatment of 1-(hydroxymethyl)-cyclopropaneacetonitrile with an acid provides the corresponding imino ester and/or halo-amide, which when reacted with thiourea provides the corresponding amide-isothiuronium salt. Hydrolysis of the amide-isothiuronium salt followed by an in situ oxidation allows the facile isolation and purification of 1-[1-(carboxymethyl)-cyclopropanemethyldisulfanylmethyl]-cyclopropaneacetic acid (also known as 1-(mercaptomethyl)-cyclopropaneacetic acid disulfide). Reduction of the 1-(mercaptomethyl)-cyclopropaneacetic acid disulfide under mild conditions provides the 1-(mercaptomethyl)-cyclopropaneacetic acid with high purity.