perfluoro-2-methyl-3-ethyl-4,5,6,7-tetrahydroindene | 129246-69-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: perfluoro-2-methyl-3-ethyl-4,5,6,7-tetrahydroindene
• 英文别名: 1,1,4,4,5,5,6,6,7,7-decafluoro-3-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)indene
• CAS: 129246-69-1
• 化学式: C₁₂F₁₈
• 分子量: 486.103
• InChiKey: SYTXNERDRIFBJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  1,2,3,4-四氟-5-[(2E)-1,1,1,2,4,4,5,5,5-九氟-2-戊烯-3-基]-6-(三氟甲基)苯 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
  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