(S)-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 2-benzoyl-3-(4-methoxyphenyl)propanoate | 1086452-18-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (S)-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 2-benzoyl-3-(4-methoxyphenyl)propanoate
• 英文别名: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-[(4-methoxyphenyl)methyl]-3-oxo-3-phenylpropanoate
• CAS: 1086452-18-7
• 化学式: C₂₇H₃₄O₄
• 分子量: 422.565
• InChiKey: JRMREMVNWKAFAI-LJYZBVLISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl-3-(4-methoxyphenyl)propanoate 、 苯甲酰氯 在 四氯化钛 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成 (S)-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 2-benzoyl-3-(4-methoxyphenyl)propanoate 、 (R)-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 2-benzoyl-3-(4-methoxyphenyl)propanoate
  参考文献：
  名称：

  Convenient Synthetic Route to an Enantiomerically Pure FMOC α-Amino Acid

  摘要：

  A strategy for the facile alpha-amination of carboxylic acid menthyl esters is described. The resulting diastereomers, readily separable, can be individually carried on to each enantiomer of the FMOC alpha-amino acid. A variety of unnatural side chains were compatible with this approach. The menthyl ester was easily removed from the FMOC alpha-amino acid without racermization.

  DOI：

  10.1021/jo801781v

文献信息

• Convenient Synthetic Route to an Enantiomerically Pure FMOC α-Amino Acid
  作者：Douglass F. Taber、James F. Berry、Timothy J. Martin

  DOI：10.1021/jo801781v

  日期：2008.12.5

  A strategy for the facile alpha-amination of carboxylic acid menthyl esters is described. The resulting diastereomers, readily separable, can be individually carried on to each enantiomer of the FMOC alpha-amino acid. A variety of unnatural side chains were compatible with this approach. The menthyl ester was easily removed from the FMOC alpha-amino acid without racermization.