(2S)-3-methyl-2-[(4-pentylcyclohexanecarbonyl)amino]butanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-3-methyl-2-[(4-pentylcyclohexanecarbonyl)amino]butanoic acid
• 化学式: C₁₇H₃₁NO₃
• mdl: MFCD14723351
• 分子量: 297.438
• InChiKey: GYKXAGDNRYWNDU-NRXISQOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-正戊基苯甲酸 在 sodium hydroxide 、 氯化亚砜 、 氢气 作用下， 以 1,4-二氧六环 、 水 、 苯 为溶剂， 140.0~280.0 ℃ 、4.0 MPa 条件下， 反应 3.0h， 生成 (2S)-3-methyl-2-[(4-pentylcyclohexanecarbonyl)amino]butanoic acid
  参考文献：
  名称：

  Improved synthesis of trans-4-alkylcyclohexane carboxylic acids

  摘要：

  Several stereomerically pure amino acid derivatives containing the N-terminal trans-4-alkylcyclohexanoyl fragment were obtained. Hydrogenation of 4-alkylbenzoic acids in the presence of a special Ru-Ni/C catalytic system and isomerization of the resulting mixture of trans- and cis-isomers of 4-alkylcyclohexanecarboxylic acids were used as the key steps. The stereomeric configuration of all compounds was confirmed by H-1 NMR spectroscopy. The compounds obtained possess a broad biological activity potential and are useful intermediates in the synthesis of stereomerically pure modified peptides. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.06.117

文献信息

• Improved synthesis of trans-4-alkylcyclohexane carboxylic acids
  作者：Alexey A. Bazurin、Sergey V. Krasnikov、Tatiana A. Obuchova、Angelina S. Danilova、Konstantin V. Balakin

  DOI：10.1016/j.tetlet.2004.06.117

  日期：2004.8

  Several stereomerically pure amino acid derivatives containing the N-terminal trans-4-alkylcyclohexanoyl fragment were obtained. Hydrogenation of 4-alkylbenzoic acids in the presence of a special Ru-Ni/C catalytic system and isomerization of the resulting mixture of trans- and cis-isomers of 4-alkylcyclohexanecarboxylic acids were used as the key steps. The stereomeric configuration of all compounds was confirmed by H-1 NMR spectroscopy. The compounds obtained possess a broad biological activity potential and are useful intermediates in the synthesis of stereomerically pure modified peptides. (C) 2004 Elsevier Ltd. All rights reserved.