O-ethyl S-4-oxo-8-phenyl-1-(trimethylsilyl)octyl carbonodithioate | 1046204-26-5

• 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: O-ethyl S-4-oxo-8-phenyl-1-(trimethylsilyl)octyl carbonodithioate
• 英文别名: O-ethyl (4-oxo-8-phenyl-1-trimethylsilyloctyl)sulfanylmethanethioate
• CAS: 1046204-26-5
• 化学式: C₂₀H₃₂O₂S₂Si
• 分子量: 396.69
• InChiKey: SMZCEDNICTVXCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.05
• 重原子数：
  25
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  83.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  O-ethyl S-4-oxo-8-phenyl-1-(trimethylsilyl)octyl carbonodithioate 、 2,2’-二氯二苯二硫醚 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以33%的产率得到1-(2-chlorophenylthio)-8-phenyl-1-(trimethylsilyl)octan-4-one
  参考文献：
  名称：

  Radical, One-Step Approach to o-Chlorophenyl Thioethers from Xanthates. A Rapid Access to Vinylsilanes

  摘要：

  Xanthates have been readily converted into o-chlorophenyl thioethers using a one-step procedure conducted under radical conditions. In some selected cases, these aryl thioethers were successfully oxidized to the corresponding sulfoxides and sulfenic acid elimination afforded the corresponding vinylsilanes.

  DOI：

  10.1021/ol801348u
• 作为产物：
  描述：

  O-ethyl S-(2-oxo-6-phenylhexyl) carbonodithioate 、 乙烯基三甲基硅烷 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以89%的产率得到O-ethyl S-4-oxo-8-phenyl-1-(trimethylsilyl)octyl carbonodithioate
  参考文献：
  名称：

  Radical, One-Step Approach to o-Chlorophenyl Thioethers from Xanthates. A Rapid Access to Vinylsilanes

  摘要：

  Xanthates have been readily converted into o-chlorophenyl thioethers using a one-step procedure conducted under radical conditions. In some selected cases, these aryl thioethers were successfully oxidized to the corresponding sulfoxides and sulfenic acid elimination afforded the corresponding vinylsilanes.

  DOI：

  10.1021/ol801348u