1-hydroxy-perfluoro-1-methyl-indan | 154059-35-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 1-hydroxy-perfluoro-1-methyl-indan
• CAS: 154059-35-5
• 化学式: C₁₀HF₁₁O
• 分子量: 346.1
• InChiKey: NHISUIUPQRUHAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-hydroxy-perfluoro-1-methyl-indan 在 氢氟酸 、 五氟化锑 作用下， 反应 4.0h， 生成 perfluoro-1-methylindan
  参考文献：
  名称：

  Fluoro-indenes. Part 14. Interaction of perfluorinated 3-methyl-indene and 1-methylene-indan with nitrating agents in anhydrous HF

  摘要：

  The reaction of perfluorinated 3-methyl-indene and 1-methylene-indan with nitrating agents in anhydrous HF leads to the formation of perfluoro-indan containing an oxygen function together with nitrofluorination products. From an analysis of the experimental data and the results of MNDO calculations of the starting compounds (including perfluorinated indene and 2-methyl-indene), their radical cations and polyfluorinated nitro-indanyl cations, a scheme for the process has been suggested including both a classical electrophilic route and a route involving radical cations of the substrates. The latter are assumed to be generated together with NO2. from the intermediate nitro-indanyl cations.

  DOI：

  10.1016/s0022-1139(00)80469-8
• 作为产物：
  描述：

  全氟(3-甲基茚) 在 氢氟酸 、 硝酸 、 五氟化锑 作用下， 反应 84.0h， 生成 1-hydroxy-perfluoro-1-methyl-indan 、 1-nitro-perfluoro-1-methyl-indan 、 syn-2-nitroperfluoro-1-methyl-indan
  参考文献：
  名称：

  Fluoro-indenes. Part 14. Interaction of perfluorinated 3-methyl-indene and 1-methylene-indan with nitrating agents in anhydrous HF

  摘要：

  The reaction of perfluorinated 3-methyl-indene and 1-methylene-indan with nitrating agents in anhydrous HF leads to the formation of perfluoro-indan containing an oxygen function together with nitrofluorination products. From an analysis of the experimental data and the results of MNDO calculations of the starting compounds (including perfluorinated indene and 2-methyl-indene), their radical cations and polyfluorinated nitro-indanyl cations, a scheme for the process has been suggested including both a classical electrophilic route and a route involving radical cations of the substrates. The latter are assumed to be generated together with NO2. from the intermediate nitro-indanyl cations.

  DOI：

  10.1016/s0022-1139(00)80469-8