(1-Amino-2-ethenylcyclopropyl) but-3-enoate

• 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-Amino-2-ethenylcyclopropyl) but-3-enoate
• 英文别名: (1-amino-2-ethenylcyclopropyl) but-3-enoate
• 化学式: C₉H₁₃NO₂
• 分子量: 167.2
• InChiKey: YJEUQMZYQGMXJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 1-AMINO-2-VINYL CYCLOPROPANE CARBOXYLIC ACID AMIDE, SALT OF SAME, AND METHOD FOR PRODUCING SAME
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：EP2725012A1

  公开（公告）日：2014-04-30

  The present invention relates to 1-amino-2-vinylcyclopropane carboxylic acid amide or a salt thereof. By obtaining optically active 1-amino-2-vinylcyclopropane carboxylic acid amide or a salt thereof by hydrolyzing optically active 1-amino-2-vinylcyclopropane carbonitrile or a salt thereof according to the production method of the present invention, 1-amino-2-vinylcyclopropane carboxylic acid amide or a salt thereof, which is useful as a pharmaceutical/agrochemical intermediate, can be easily obtained. The present invention is capable of providing a substrate to be subjected to optical resolution, which enables the production of optically active 1-amino-2-vinylcyclopropane carboxylic acid, which is widely used as a raw material for pharmaceutical and agrochemical products and is especially important as an intermediate for therapeutic agents for hepatitis C, inexpensively with high purity and high yield.

  本发明涉及1-氨基-2-乙烯基环丙烷羧酰胺或其盐。通过根据本发明的生产方法，通过水解光学活性的1-氨基-2-乙烯基环丙烷腈或其盐获得光学活性的1-氨基-2-乙烯基环丙烷羧酰胺或其盐，该化合物作为药物/农药中间体有用，可以轻松获得。本发明能够提供一个可进行光学分辨的底物，使得可以以高纯度和高产率廉价地生产广泛用作制药和农药产品原料的光学活性的1-氨基-2-乙烯基环丙烷羧酸，特别是作为治疗丙型肝炎的治疗剂的中间体。