Butanoic acid, 2-chloro, 1-methylpropyl ester

• 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: Butanoic acid, 2-chloro, 1-methylpropyl ester
• 英文别名: butan-2-yl 2-chlorobutanoate
• 化学式: C₈H₁₅ClO₂
• 分子量: 178.65
• InChiKey: HRJQRWBJIJWOEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Process for the manufacture of cyclopropylamine
  申请人：CIBA-GEIGY AG

  公开号：EP0205403A1

  公开（公告）日：1986-12-17

  A modified novel process for preparing cyclopropylamine from y-butyrolactone is described. The y-butyrolactone ring is cleaved with a hydrohalide in the presence of a novel catalyst comprising an aqueous sulfuric acid solution. The 4-chlorobutyric acid, thus formed is converted into a hindered chlorobutyrate ester. The hindered ester based on secondary and tertiary alkanols of eight or less carbon atoms, is cyclized to form the hindered cyclopropanecarboxylate ester by a novel reaction medium consisting of solid caustic in a water-immiscilbe solvent and a phase transfer catalyst. The hindered cyclopropanecarboxylate ester is ammoniated to form cyclopropanecarboxamide by a novel catalyst comprising an alkyli metal salt of a polyol having hydroxy groups on adjacent carbons. The carboxamide formed in substantially quantitative yields in converted to cyclopropylamine by a modified Hofmann reaction utilizing continuous degradation of the intermediate with simultaneous destillation.

  本发明描述了一种从 y-丁内酯制备环丙胺的改进型新工艺。在由硫酸水溶液组成的新型催化剂存在下，y-丁内酯环与氢卤化物发生裂解。由此形成的 4-氯丁酸转化为受阻氯丁酸酯。以 8 个或更少碳原子的仲烷醇和叔烷醇为基础的受阻酯通过一种新型反应介质环化，形成受阻环丙烷羧酸酯，该反应介质由水-不粘锅溶剂中的固体苛性碱和相转移催化剂组成。受阻环丙烷羧酸酯在一种新型催化剂的氨化下形成环丙烷甲酰胺，该催化剂由在相邻碳原子上具有羟基的多元醇的烷基金属盐组成。利用连续降解中间体并同时进行蒸馏的改良霍夫曼反应，将形成的羧酰胺大量转化为环丙胺。
• US4590292A
  申请人：——

  公开号：US4590292A

  公开（公告）日：1986-05-20