H-Ala-OEtCl | 116339-89-0

• 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: H-Ala-OEtCl
• 英文别名: L-Alanine, 2-chloroethyl ester；2-chloroethyl (2S)-2-aminopropanoate
• CAS: 116339-89-0
• 化学式: C₅H₁₀ClNO₂
• 分子量: 151.593
• InChiKey: JVBYOKWZWMIKQZ-BYPYZUCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  BOC-L-苯丙氨酸 、 H-Ala-OEtCl 生成 Mal-Phe-Ala-OEtCl
  参考文献：
  名称：

  Enzyme-catalyzed peptide synthesis in ice

  摘要：

  DOI：

  10.1016/s0040-4020(01)81466-6

文献信息

• METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME
  申请人：LG Life Sciences Ltd.

  公开号：EP1587943A1

  公开（公告）日：2005-10-26
• [EN] METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME<br/>[FR] METHODE DE PREPARATION D'UNE FORME A (R)- OU (S)- DE N-(2,6-DIMETHYL PHENYL) ALANINE ET D'UNE FORME CONTRE-ENANTIOMERE D'ESTER DE N-(2,6-DIMETHYL PHENYL) ALANINE S'Y RAPPORTANT UTILISANT UNE ENZYME
  申请人：LG LIFE SCIENCES LTD

  公开号：WO2004055195A1

  公开（公告）日：2004-07-01

  The present invention provides methods for stereospecifically preparing (R)- or (S)-N-(2,6-dimethyl phenyl) alanine and counter ester compounds thereto using enzyme, which comprises reacting an enzyme having hydrolytic activity specific to one enantiomer of racemic (R), (S)-N-(2,6-dimethyl phenyl) alanine esters ((R)-enantiomer and (S)-enantiomer) with the racemic mixture above to obtain (R)- or (S)-N-(2,6-dimethyl phenyl) alanine by optical resolution, or extracting (S)- or (R)-N-(2,6-dimethyl phenyl) alanine ester as an unreacted compound from a reaction mixture using solvent, or esterifying a certain alanine enantiomer separated by the optical resolution with alcohol to synthesize (S)- or (R)-N-(2,6-dimethyl phenyl) alanine ester.