(1R,3S,4aR,8aR)-[3-(2-(Ethoxycarbonothioylthio)propan-2-yl)-8a-(ethoxycarbonylthio)-6-oxodecahydronaphthalen-1-yl] acetate | 1046204-34-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,3S,4aR,8aR)-[3-(2-(Ethoxycarbonothioylthio)propan-2-yl)-8a-(ethoxycarbonylthio)-6-oxodecahydronaphthalen-1-yl] acetate
• CAS: 1046204-34-5
• 化学式: C₂₁H₃₂O₅S₄
• 分子量: 492.746
• InChiKey: RJNVSMQIYNHMRN-GYQJYAJYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.32
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (1R,3S,4aR,8aR)-[3-(2-(Ethoxycarbonothioylthio)propan-2-yl)-8a-(ethoxycarbonylthio)-6-oxodecahydronaphthalen-1-yl] acetate 、 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45%的产率得到(1R,3S,4aR,8aR)-8a-(2-chlorophenylthio)-3-(2-(2-chlorophenylthio)propan-2-yl)-6-oxodecahydronaphthalen-1-yl acetate
  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：

  (1R,5S)-[2-(4-(ethoxycarbonothioylthio)-3-oxobutyl)-5-(2-(ethoxycarbonothioylthio)propan-2-yl)cyclohex-2-enyl] acetate 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以41%的产率得到(1R,3S,4aR,8aR)-[3-(2-(Ethoxycarbonothioylthio)propan-2-yl)-8a-(ethoxycarbonylthio)-6-oxodecahydronaphthalen-1-yl] acetate
  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