S-2-benzoylbutyl acetothiolate | 196702-56-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-2-benzoylbutyl acetothiolate
• 英文别名: S-(2-benzoylbutyl) ethanethioate
• CAS: 196702-56-4
• 化学式: C₁₃H₁₆O₂S
• 分子量: 236.335
• InChiKey: RGBNBJCJWXXFJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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-benzoylbutyl acetothiolate 在 镍 作用下， 生成 (S)-2-methyl-1-phenylbutan-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-Phenylbut-1-en-1-yl)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72%的产率得到S-2-benzoylbutyl acetothiolate
  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.