(2,2-Dimethoxy-ethylsulfanyl)-acetic acid methyl ester | 173602-17-0

• 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: (2,2-Dimethoxy-ethylsulfanyl)-acetic acid methyl ester
• 英文别名: Methyl 2-(2,2-dimethoxyethylsulfanyl)acetate
• CAS: 173602-17-0
• 化学式: C₇H₁₄O₄S
• 分子量: 194.252
• InChiKey: NDKWYEJCQUEVMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  70.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2,2-Dimethoxy-ethylsulfanyl)-acetic acid methyl ester 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 (Dimethoxy-ethanesulfinyl)-acetic acid methyl ester
  参考文献：
  名称：

  Enzymatic Resolution of α-acetoxysulfides: A new approach to the synthesis of homochiral S,O-Acetals

  摘要：

  A novel enzymatic resolution of alpha-acetoxysulfides using Pseudomonas fluorescens lipase is reported. Selectivity is highly dependent on the substrate and solvent, with enantiomeric excesses of >95% in some cases. We believe these are the first examples of enzymatic resolutions of an S,O-acetal.

  DOI：

  10.1016/0957-4166(95)00248-n
• 作为产物：
  描述：

  巯基乙酸甲酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium 作用下， 生成 (2,2-Dimethoxy-ethylsulfanyl)-acetic acid methyl ester
  参考文献：
  名称：

  Enzymatic Resolution of α-acetoxysulfides: A new approach to the synthesis of homochiral S,O-Acetals

  摘要：

  A novel enzymatic resolution of alpha-acetoxysulfides using Pseudomonas fluorescens lipase is reported. Selectivity is highly dependent on the substrate and solvent, with enantiomeric excesses of >95% in some cases. We believe these are the first examples of enzymatic resolutions of an S,O-acetal.

  DOI：

  10.1016/0957-4166(95)00248-n

文献信息

• Enzymatic Resolution of α-acetoxysulfides: A new approach to the synthesis of homochiral S,O-Acetals
  作者：John Milton、Stephen Brand、Martin F. Jones、Christopher M. Rayner

  DOI：10.1016/0957-4166(95)00248-n

  日期：1995.8

  A novel enzymatic resolution of alpha-acetoxysulfides using Pseudomonas fluorescens lipase is reported. Selectivity is highly dependent on the substrate and solvent, with enantiomeric excesses of >95% in some cases. We believe these are the first examples of enzymatic resolutions of an S,O-acetal.