(2S)-2-azaniumyl-3-(trifluoromethylsulfanyl)propanoate

• 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)-2-azaniumyl-3-(trifluoromethylsulfanyl)propanoate
• 化学式: C4H6F3NO2S
• 分子量: 189.16
• InChiKey: KQKODVYODWEMMF-UWTATZPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Chemical deracemization and (S) to (R) interconversion of some fluorine-containing α-amino acids
  作者：Alexander E. Sorochinsky、Hisanori Ueki、José Luis Aceña、Trevor K. Ellis、Hiroki Moriwaki、Tatsunori Sato、Vadim A. Soloshonok

  DOI：10.1016/j.jfluchem.2013.02.022

  日期：2013.8

  Several omega-CF3-substituted alpha-amino acids have been prepared in optically pure form via two complementary approaches. Racemic fluorinated derivatives of 2-aminobutanoic acid, norvaline and norleucine were chemically deracemized by complexation with a Ni(II) salt and a chiral reagent derived from alpha-(phenyl)ethylamine. Additionally this procedure also allowed the conversion of readily available L-amino acids, CF3-analogs of cysteine and methionine, into the corresponding unnatural D-series. Optically pure amino acids are obtained upon disassembly of the Ni(II) complexes with recovery of the chiral ligand. (C) 2013 Elsevier B.V. All rights reserved.