(1aS,5aS)-octahydro-6-azacyclopropa[a]indene-6a-carboxylic acid hydrochloride | 1320270-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (1aS,5aS)-octahydro-6-azacyclopropa[a]indene-6a-carboxylic acid hydrochloride
• 英文别名: (1aS,2aS,6aS,6bS)-2,2a,3,4,5,6,6a,6b-octahydro-1H-cyclopropa[b]indole-1a-carboxylic acid;hydrochloride
• CAS: 1320270-31-2
• 化学式: C₁₀H₁₅NO₂*ClH
• 分子量: 217.696
• InChiKey: OXOBJOYJCIYXOI-AHMUPFRHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.41
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  49.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  碳酸二叔丁酯 、 (1aS,5aS)-octahydro-6-azacyclopropa[a]indene-6a-carboxylic acid hydrochloride 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 16.0h， 以0.65 g的产率得到(1aS,1bS,5aS,6aS)-octahydro-6-aza-cyclopropa[a]indene-6a-carboxylic acid
  参考文献：
  名称：

  Synthesis and Characterization of Novel Bi- and Tricyclic α-Amino Acids

  摘要：

  As part of a medicinal chemistry collaboration, a number of novel bi- and tricyclic alpha-amino acids were prepared through various routes and characterized by H-1 nuclear Overhauser effect difference experiments. The syntheses provide a number of routes to access some highly substituted amino acid derivatives that have not been reported previously. It is envisaged that the chemistry described here could be applied to the synthesis of other unique substrates.

  DOI：

  10.1080/00397911.2010.515354
• 作为产物：
  描述：

  (1aS,5aS)-octahydro-6-azacyclopropa[a]indenedicarboxylic acid dimethyl ester 在 盐酸 、 水 作用下， 反应 13.0h， 生成 (1aS,5aS)-octahydro-6-azacyclopropa[a]indene-6a-carboxylic acid hydrochloride
  参考文献：
  名称：

  Synthesis and Characterization of Novel Bi- and Tricyclic α-Amino Acids

  摘要：

  As part of a medicinal chemistry collaboration, a number of novel bi- and tricyclic alpha-amino acids were prepared through various routes and characterized by H-1 nuclear Overhauser effect difference experiments. The syntheses provide a number of routes to access some highly substituted amino acid derivatives that have not been reported previously. It is envisaged that the chemistry described here could be applied to the synthesis of other unique substrates.

  DOI：

  10.1080/00397911.2010.515354