四环[3.2.0.02,7.04,6]庚烷-1-羧酸,甲基酯,(1R,2S,4R,5R,6S,7R)- | 309757-11-7

• 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: 四环[3.2.0.02,7.04,6]庚烷-1-羧酸,甲基酯,(1R,2S,4R,5R,6S,7R)-
• 中文别名: 1-氨基-2-异丙基环戊烷羧酸
• 英文名称: (1R,2S)-1-amino-2-(1-methylethyl)cyclopentanecarboxylic acid
• 英文别名: (1R,2S)-1-Amino-2-(propan-2-yl)cyclopentane-1-carboxylic acid；(1R,2S)-1-amino-2-propan-2-ylcyclopentane-1-carboxylic acid
• CAS: 309757-11-7
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: XTWVAQIFBDBUDU-IONNQARKSA-N

物化性质

• 沸点：
  282.0±23.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(1-methylethyl)-1-(1-phenylethylamino)cyclopentanecarbonitrile 在 盐酸 、 硫酸 作用下， 以 二氯甲烷 为溶剂， 反应 1344010.0h， 生成 四环[3.2.0.02,7.04,6]庚烷-1-羧酸,甲基酯,(1R,2S,4R,5R,6S,7R)-
  参考文献：
  名称：

  Bisel; Breitling; Schlauch, Pharmazie, 2001, vol. 56, # 10, p. 770 - 772

  摘要：

  DOI：

文献信息

• Carbocyclic α-amino acids: asymmetric Strecker synthesis of a series of 2-alkylated 1-aminocyclopentanecarboxylic acids
  作者：Judith Wede、Franz-J Volk、August W Frahm

  DOI：10.1016/s0957-4166(00)00284-6

  日期：2000.8

  A series of 12 carbocyclic alpha-amino acids has been prepared from four different racemic 2-alkylated cyclopentanones and (R)-1-phenylethylamine as the chiral auxiliary by means of an asymmetric Strecker synthesis. The stereoselectivity was influenced by solvent, temperature and size of the substituent at the 2-position of the cyclopentanones. For the methyl and ethyl substituted amino acids all four possible stereoisomers could be obtained, whereas for the isopropyl and tertiary butyl compounds an unexpected side reaction prohibited the isolation of the cis configured amino acids. The 1,3-induction mechanism observed for the kinetically controlled alpha-amino nitrile formation in the 2-methyl and 2-ethyl series was overlayed by a 1,2-induction in the respective 2-isopropyl and 2-tertiary butyl series. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Bisel; Breitling; Schlauch, Pharmazie, <hi>2001</hi>, vol. 56, # 10, p. 770 - 772
  作者：Bisel、Breitling、Schlauch、Volk、Frahm

  DOI：——

  日期：——