O-[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] methylsulfanylmethanethioate | 335379-30-1

• 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: O-[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] methylsulfanylmethanethioate
• CAS: 335379-30-1
• 化学式: C₁₀H₁₃F₃OS₂
• 分子量: 270.34
• InChiKey: BLKRONVFZHKCMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  烯丙基三丁基锡 、 O-[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] methylsulfanylmethanethioate 在 三乙基硼 作用下， 以 正己烷 为溶剂， 以84%的产率得到2-prop-2-enyl-2-(trifluoromethyl)bicyclo[2.2.1]heptane
  参考文献：
  名称：

  Radical allylation of trifluoromethylated xanthates: use of DEAD for removing the allyltributyltin excess

  摘要：

  Radical allylation of trifluoromethylated xanthates allows the preparation of quaternary carbon centers bearing the trifluoromethyl group. An excess of the allyltributyltin reagent must be used in order to achieve satisfactory yields of the adducts. The excess of reagent could be conveniently removed by the use of diethylazodicarboxylate (DEAD). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02135-3
• 作为产物：
  描述：

  2-(trifluoromethyl)bicyclo<2.2.1>heptan-2-ol 在 potassium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 O-[2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl] methylsulfanylmethanethioate
  参考文献：
  名称：

  Radical allylation of trifluoromethylated xanthates: use of DEAD for removing the allyltributyltin excess

  摘要：

  Radical allylation of trifluoromethylated xanthates allows the preparation of quaternary carbon centers bearing the trifluoromethyl group. An excess of the allyltributyltin reagent must be used in order to achieve satisfactory yields of the adducts. The excess of reagent could be conveniently removed by the use of diethylazodicarboxylate (DEAD). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02135-3