S-(2-methyl-3-oxo-3-phenylpropyl) ethanethioate | 196702-55-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-(2-methyl-3-oxo-3-phenylpropyl) ethanethioate
• CAS: 196702-55-3；196702-66-6
• 化学式: C₁₂H₁₄O₂S
• 分子量: 222.308
• InChiKey: PAHHKOGQQLKVNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-(2-methyl-3-oxo-3-phenylpropyl) ethanethioate 在 lipase AH 、 水 作用下， 以 异丙醚 为溶剂， 反应 25.0h， 以43%的产率得到3-Mercapto-2-methyl-1-phenyl-propan-1-one
  参考文献：
  名称：

  Syntheses of optically active γ-ketothiols and the esters by lipase-catalyzed hydrolysis via α-acetylthiomethylation of ketones

  摘要：

  The alpha-acetylthiomethylation of ketones was achieved by the reaction of ketones or the enamines with N,N-bis-(acetylthiomethyl)-p-chloroaniline in the presence of trifluoroacetic acid. The resulting thiolesters were hydrolyzed enantioselectively by catalysis of lipases. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00281-4
• 作为产物：
  描述：

  4-(1-phenyl-propenyl)-morpholine 、 N,N-bis(acetylthiomethyl)-p-chloroaniline 在 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以70%的产率得到S-(2-methyl-3-oxo-3-phenylpropyl) ethanethioate
  参考文献：
  名称：

  Syntheses of optically active γ-ketothiols and the esters by lipase-catalyzed hydrolysis via α-acetylthiomethylation of ketones

  摘要：

  The alpha-acetylthiomethylation of ketones was achieved by the reaction of ketones or the enamines with N,N-bis-(acetylthiomethyl)-p-chloroaniline in the presence of trifluoroacetic acid. The resulting thiolesters were hydrolyzed enantioselectively by catalysis of lipases. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00281-4

文献信息

• Syntheses of optically active γ-ketothiols and the esters by lipase-catalyzed hydrolysis via α-acetylthiomethylation of ketones
  作者：Tomohiko Izawa、Yoshiyasu Terao、Kunio Suzuki

  DOI：10.1016/s0957-4166(97)00281-4

  日期：1997.8

  The alpha-acetylthiomethylation of ketones was achieved by the reaction of ketones or the enamines with N,N-bis-(acetylthiomethyl)-p-chloroaniline in the presence of trifluoroacetic acid. The resulting thiolesters were hydrolyzed enantioselectively by catalysis of lipases. (C) 1997 Elsevier Science Ltd.