二环[2.2.1]庚烷-2-羧酸,2-氨基-6-(甲硫基)-,(endo,endo)-(9CI) | 139757-83-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 二环[2.2.1]庚烷-2-羧酸,2-氨基-6-(甲硫基)-,(endo,endo)-(9CI)
• 英文名称: (+/-)-2-endo-amino-6-endo-(methylthio)bicyclo<2.2.1>heptane-2-exo-carboxylic acid
• 英文别名: (+/-)-2-endo-amino-6-endo-(methylthio)bicyclo[2.2.1]heptane-2-exo-carboxylic acid；(1R,2S,4S,6R)-2-amino-6-methylsulfanylbicyclo[2.2.1]heptane-2-carboxylic acid
• CAS: 139757-83-8
• 化学式: C₉H₁₅NO₂S
• 分子量: 201.29
• InChiKey: MVAFYHUYMVTCNA-AYHNYZOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  88.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (1S,2R,4R,6S)-6-methylsulfanylspiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione 在 barium dihydroxide 作用下， 以 水 为溶剂， 以85%的产率得到二环[2.2.1]庚烷-2-羧酸,2-氨基-6-(甲硫基)-,(endo,endo)-(9CI)
  参考文献：
  名称：

  A new synthesis of 2-substituted 6-endo-(methylthio)bicyclo[2.2.1]heptanes. Synthesis and crystal and molecular structure of a conformationally restricted methionine analog

  摘要：

  A new and advantageous synthesis of 2-endo-substituted-6-endo-(methylthio)bicyclo[2.2.1]heptanes, especially suitable for the preparation of such compounds with 2-endo-hydroxy and amino substituents, is presented. Also reported is the synthesis of the conformationally restricted methionine analogue (+/-)-2-endo-amino-6-endo-(methylthio)bicyclo[2.2.1]heptane-2-exo-carboxylic acid and its crystal and molecular structure determined by X-ray crystallographic techniques.

  DOI：

  10.1021/jo00035a026

文献信息

• A new synthesis of 2-substituted 6-endo-(methylthio)bicyclo[2.2.1]heptanes. Synthesis and crystal and molecular structure of a conformationally restricted methionine analog
  作者：Richard S. Glass、Mahmood Sabahi、Waheguru P. Singh

  DOI：10.1021/jo00035a026

  日期：1992.4

  A new and advantageous synthesis of 2-endo-substituted-6-endo-(methylthio)bicyclo[2.2.1]heptanes, especially suitable for the preparation of such compounds with 2-endo-hydroxy and amino substituents, is presented. Also reported is the synthesis of the conformationally restricted methionine analogue (+/-)-2-endo-amino-6-endo-(methylthio)bicyclo[2.2.1]heptane-2-exo-carboxylic acid and its crystal and molecular structure determined by X-ray crystallographic techniques.