(E)-4-aminobut-2-enoic acid hydrochloride

• 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: (E)-4-aminobut-2-enoic acid hydrochloride
• 英文别名: [(E)-3-carboxyprop-2-enyl]azanium;chloride
• 化学式: C₄H₇NO₂*ClH
• 分子量: 137.566
• InChiKey: ASNDYIQICTUCOY-TYYBGVCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl (E)-4-((tert-butoxycarbonyl)amino)but-2-enoate 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 以85.6%的产率得到(E)-4-aminobut-2-enoic acid hydrochloride
  参考文献：
  名称：

  Efficient synthesis of the GABAA receptor agonist trans-4-aminocrotonic acid (TACA)

  摘要：

  Investigations into the pharmacology of different types of cys-loop GABA receptor have relied for years on the chemical modification of GABA-like compounds. The GABA metabolite GABOB is an attractive molecule to modify due to its convenient chemical structure. In the process of developing new GABA-mimic compounds from GABOB as a starting compound three small molecule GABA derivatives were synthesized using a variety of chemical transformations. Amongst these, a new and reliable method to synthesize TACA (trans-4-aminocrotonic acid) is reported. Crown Copyright (C) 2017 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.07.050

文献信息

• Efficient synthesis of the GABAA receptor agonist trans-4-aminocrotonic acid (TACA)
  作者：Sean G. Forrester、Joshua Foster、Sebastien Robert、Lidya Salim、Jean-Paul Desaulniers

  DOI：10.1016/j.bmcl.2017.07.050

  日期：2017.9

  Investigations into the pharmacology of different types of cys-loop GABA receptor have relied for years on the chemical modification of GABA-like compounds. The GABA metabolite GABOB is an attractive molecule to modify due to its convenient chemical structure. In the process of developing new GABA-mimic compounds from GABOB as a starting compound three small molecule GABA derivatives were synthesized using a variety of chemical transformations. Amongst these, a new and reliable method to synthesize TACA (trans-4-aminocrotonic acid) is reported. Crown Copyright (C) 2017 Published by Elsevier Ltd. All rights reserved.