perfluoro(2-ethyl-2-phenyl-1,2-dihydrocyclobutabenzen-1-one) | 1073191-71-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: perfluoro(2-ethyl-2-phenyl-1,2-dihydrocyclobutabenzen-1-one)
• 英文别名: perfluoro-2-ethyl-2-phenylbenzocyclobutenone；Perfluoro(2-ethyl-2-phenyl-1,2-di-hydrocyclobutabenzen-1-one)；2,3,4,5-tetrafluoro-8-(1,1,2,2,2-pentafluoroethyl)-8-(2,3,4,5,6-pentafluorophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-one
• CAS: 1073191-71-5
• 化学式: C₁₆F₁₄O
• 分子量: 474.153
• InChiKey: NVIGNBYBKSGKED-UHFFFAOYSA-N

物化性质

• 熔点：
  67-71 °C(Solvent: Hexane)
• 沸点：
  348.7±42.0 °C(predicted)
• 密度：
  1.835±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  perfluoro(2-ethyl-2-phenyl-1,2-dihydrocyclobutabenzen-1-one) 在 五氟化锑 作用下， 反应 14.0h， 生成 perfluoro-3-ethyl-3-phenylphthalan-1-yl cation
  参考文献：
  名称：

  Skeletal transformations of perfluorinated 2,2-diethyl- and 2-ethyl-2-phenyl-benzocyclobutenones under the action of antimony pentafluoride

  摘要：

  Perfluoro-2-ethyl-2-phenylbenzocyclobutenone heated with SbFs at 70 degrees C and then treated with water, forms perfluoro-3-ethyl-3-phenylphthalide. In contrast to this, heating of perfluoro-2,2-diethylbenzocyclobutenone with SbFs at 70 C gives, after treatment of the reaction mixture with water, perfluoro-2-(pent-2-en-3-yl)benzoic acid. When the reaction temperature is raised to 125 C, a solution of a salt of perfluoro-4-ethyl-3-methylisochromenyl cation is obtained. Hydrolysis of the solution of the salt gives perfluoro-4-ethyl-3-methylisochromen-1-one. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2008.08.002
• 作为产物：
  描述：

  perfluoro(1-ethyl-1-phenyl-1,2-dihydrocyclobutabenzene) 在 氯氟磺酰 、 五氟化锑 、 水 作用下， 生成 perfluoro(2-ethyl-2-phenyl-1,2-dihydrocyclobutabenzen-1-one)
  参考文献：
  名称：

  Reaction of perfluorinated 1-ethyl-, 1,1-diethyl-, and 1,2-diethylcyclobutabenzenes with pentafluorobenzene in SbF5

  摘要：

  Perfluoro(1-ethyl-1,2-dihydrocyclobutabenzene) reacts with pentafluorobenzene in SbF5 to give perfluoro(1-ethyl-2-phenyl-1,2-dihydrocyclobutabenzene). Analogous reaction of a mixture of perfluoro(1,1-diethyl-1,2-dihydrocyclobutabenzene) and perfluoro(1,2-diethyl-1,2-dihydrocyclobutabenzene) leads to the formation (after hydrolysis of the reaction mixture) of perfluorinated 7-phenyl-8,8-diethylbicyclo[4.2.0]octa-1,4,6-trien-3-one, 1,1-diethyl-2-(4-oxocyclohexa-2,5-dienylidene)-1,2-dihydrocyclobutabenzene, and 2-(pent-2-en-3-yl)benzophenone (from the 1,1-isomer) and perfluorinated (E)-1,2-diethyl-1-phenyl-1,2-dihydrocyclobutabenzene, 7,8-diethyl-8-phenylbicyclo[4.2.0]octa-1,4,6-trien-3-one, and 1-[2-(1-phenylprop-1-en-1-yl)-phenyl]propan-1-one (from the 1,2-isomer).

  DOI：

  10.1134/s1070428007110152