perfluoro-o-dipropylbenzene | 129246-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: perfluoro-o-dipropylbenzene
• 英文别名: 1,2,3,4-Tetrafluoro-5,6-bis(heptafluoropropyl)benzene；1,2,3,4-tetrafluoro-5,6-bis(1,1,2,2,3,3,3-heptafluoropropyl)benzene
• CAS: 129246-71-5
• 化学式: C₁₂F₁₈
• 分子量: 486.103
• InChiKey: ALYRQDTWAGAAGB-UHFFFAOYSA-N

物化性质

• 沸点：
  175.3±40.0 °C(predicted)
• 密度：
  1.717±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  perfluoro-1,2-diethylbenzocyclobutene 在 氢氟酸 、 五氟化锑 作用下， 生成 perfluoro-2-methyl-3-ethylindene 、 perfluoro-2-methyl-3-ethyl-4,5,6,7-tetrahydroindene 、 perfluoro-o-dipropylbenzene
  参考文献：
  名称：

  Skeletal reactions of perfluoromethylethyl- and perfluorodiethylbenzocyclobutenes with 1,1- and 1,2-alkyl groups in SbF5

  摘要：

  Taking perfluoro-1,1-dialkylbenzocyclobutenes as examples, it has been shown to be possible to enlarge the four-membered ring in polyfluorobenzocyclobutenes to five-membered in the presence of SbF5, by cleavage of the four-membered ring followed by cyclization of the resulting polyfluorostyrene to the polyfluoroindane, which then undergoes further reactions. Perfluoro-1-methyl-1-ethylbenzocyclobutene isomerizes at 50-degrees-C in the presence of SbF5 to perfluoro-alpha,beta-omicron-trimethylstyrene, which is reversibly converted at 130-degrees-C into perfluoro-1,2-dimethylindane. Perfluoro-1,1-diethylbenzocyclobutene isomerizes at 130-degrees-C in the presence of SbF5 to give perfluoro-alpha-ethyl-beta,o-dimethylstyrene, which at 170-degrees-C gives perfluoro-2-methyl-3-ethylindene- and perfluoro-2-methyl-3-ethyl-4,5,6,7-tetrahydroindene. The last two compounds, together with perfluoro-o-dipropylbenzene, are obtained from perfluoro-1,2-diethylbenzocyclobutene with SbF5 at 170-degrees-C. From perfluoro-1-methyl-2-ethyl-benzocyclobutene with SbF5 at 95-degrees-C there is obtained perfluoro-1-ethylindane, while at 130-degrees-C, in addition to the latter compound, there are obtained perfluorinated 1,1-dimethylindane, 1,2-dimethylindane, alpha,beta,o-trimethylstyrene, 2,3-dimethylindene, and 2,3-dimethyl-4,5,6,7-tetrahydroindene.

  DOI：

  10.1007/bf00961700

文献信息

• Skeletal reactions of perfluoromethylethyl- and perfluorodiethylbenzocyclobutenes with 1,1- and 1,2-alkyl groups in SbF5
  作者：V. M. Karpov、T. V. Mezhenkora、V. E. Platonov、G. G. Yakobson�

  DOI：10.1007/bf00961700

  日期：1990.5

  Taking perfluoro-1,1-dialkylbenzocyclobutenes as examples, it has been shown to be possible to enlarge the four-membered ring in polyfluorobenzocyclobutenes to five-membered in the presence of SbF5, by cleavage of the four-membered ring followed by cyclization of the resulting polyfluorostyrene to the polyfluoroindane, which then undergoes further reactions. Perfluoro-1-methyl-1-ethylbenzocyclobutene isomerizes at 50-degrees-C in the presence of SbF5 to perfluoro-alpha,beta-omicron-trimethylstyrene, which is reversibly converted at 130-degrees-C into perfluoro-1,2-dimethylindane. Perfluoro-1,1-diethylbenzocyclobutene isomerizes at 130-degrees-C in the presence of SbF5 to give perfluoro-alpha-ethyl-beta,o-dimethylstyrene, which at 170-degrees-C gives perfluoro-2-methyl-3-ethylindene- and perfluoro-2-methyl-3-ethyl-4,5,6,7-tetrahydroindene. The last two compounds, together with perfluoro-o-dipropylbenzene, are obtained from perfluoro-1,2-diethylbenzocyclobutene with SbF5 at 170-degrees-C. From perfluoro-1-methyl-2-ethyl-benzocyclobutene with SbF5 at 95-degrees-C there is obtained perfluoro-1-ethylindane, while at 130-degrees-C, in addition to the latter compound, there are obtained perfluorinated 1,1-dimethylindane, 1,2-dimethylindane, alpha,beta,o-trimethylstyrene, 2,3-dimethylindene, and 2,3-dimethyl-4,5,6,7-tetrahydroindene.