perfluoro-3-ethyl-3-phenylphthalide | 1161942-71-7

• 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-3-ethyl-3-phenylphthalide
• CAS: 1161942-71-7
• 化学式: C₁₆F₁₄O₂
• 分子量: 490.152
• InChiKey: RMSQBWYKHUDWOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.55
• 重原子数：
  32.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  perfluoro-3-ethyl-3-phenylphthalan-1-yl cation 在 盐酸 、 水 作用下， 以63%的产率得到perfluoro-3-ethyl-3-phenylphthalide
  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

文献信息

• Skeletal transformations of perfluoro-1-ethyl-1-phenylbenzocyclobutene in the reaction with antimony pentafluoride
  作者：Tatyana V. Mezhenkova、Victor M. Karpov、Vyacheslav E. Platonov、Yuri V. Gatilov

  DOI：10.1016/j.jfluchem.2009.07.013

  日期：2009.10

  Interaction of perfluoro-1-ethyl-1-phenylbenzocyclobutene with SbF5 at room temperature gives, after treatment of the reaction mixture with H2O, perfluoro-4-[1-(2-methylphenyl)propylidene]cyclohexa-2,5-dienone as a main product. The reaction at 90–95 °C leads, after treatment with H2O, to a mixture of perfluorinated 9-ethyl-9-methyl-1,2,3,4-tetrahydro-9H-fluorene, 9-ethyl-4a-methyl-4,4a-dihydrofluoren-1-one

  全氟-1-乙基-1-苯基苯并环丁烯在室温下与SbF 5相互作用，在用H 2 O处理反应混合物后，得到全氟-4- [1-（2-（甲基苯基）亚丙基]环己基-2,5-二烯酮为主要产品。在用H 2 O处理后，在90–95°C的反应导致全氟9-乙基-9-甲基-1,2,3,4-四氢-9 H-芴，9-乙基-4a的混合物-甲基-4,4a-二氢芴-1-酮，3-乙基-3-苯酞，1-羟基-2-甲基-1-苯基茚满，3-甲基-2-苯基茚满酮和少量其他产品。