3-Acetoxy-4-chloro-4,4-difluoro-butyric acid ethyl ester | 135058-91-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-Acetoxy-4-chloro-4,4-difluoro-butyric acid ethyl ester
• 英文别名: Ethyl 3-acetyloxy-4-chloro-4,4-difluorobutanoate；ethyl 3-acetyloxy-4-chloro-4,4-difluorobutanoate
• CAS: 135058-91-2
• 化学式: C₈H₁₁ClF₂O₄
• 分子量: 244.623
• InChiKey: XURYKJISANYSNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-Acetoxy-4-chloro-4,4-difluoro-butyric acid ethyl ester 反应 0.7h， 生成 (R)-(+)-ethyl 3-hydroxy-4-chloro-4,4-difluorobutyrate 、 (S)-(-)-ethyl 3-hydroxy-4-chloro-4,4-difluorobutyrate
  参考文献：
  名称：

  A microbially-based approach for the synthesis of chiral secondary alcohols bearing the difluoromethyl or chlorodifluoromethyl group

  摘要：

  A synthetic approach to both enantiomers of the secondary alcohols [Ph(CH2)n CH(OH)CXF2 (n = 0-2) C6H13(CH2)n CH(OH)CFX2 (n = 0 or 2) and CXF2CH(OH)CH2CO2Et [X = H or Cl], involving the stereoselective hydrolysis of ester derivatives, is described. The absolute configurations of these difluoromethylated or chlorodifluoromethylated molecules were determined.

  DOI：

  10.1016/s0022-1139(00)81174-4

文献信息

• A microbially-based approach for the synthesis of chiral secondary alcohols bearing the difluoromethyl or chlorodifluoromethyl group
  作者：Tomoya Kitazume、Masatomo Asai、Takashi Tsukamoto、Takashi Yamazaki

  DOI：10.1016/s0022-1139(00)81174-4

  日期：1992.3

  A synthetic approach to both enantiomers of the secondary alcohols [Ph(CH2)n CH(OH)CXF2 (n = 0-2) C6H13(CH2)n CH(OH)CFX2 (n = 0 or 2) and CXF2CH(OH)CH2CO2Et [X = H or Cl], involving the stereoselective hydrolysis of ester derivatives, is described. The absolute configurations of these difluoromethylated or chlorodifluoromethylated molecules were determined.