4-trifluoromethyl-4-phenyl-2-cyclohexen-1-one | 140428-08-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-trifluoromethyl-4-phenyl-2-cyclohexen-1-one
• 英文别名: 4-Phenyl-4-(trifluoromethyl)cyclohex-2-en-1-one
• CAS: 140428-08-6
• 化学式: C₁₃H₁₁F₃O
• 分子量: 240.225
• InChiKey: LTPVXBXZZLPOPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(三氟甲基)苯乙烯 在 三甲基溴硅烷 、 对苯二酚 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 141.0h， 生成 4-trifluoromethyl-4-phenyl-2-cyclohexen-1-one
  参考文献：
  名称：

  Trifluoromethylalkenes in cycloaddition reactions

  摘要：

  CF3-Substituted alkenes have been described to be good partners in Diels-Alder reactions with the Danishefsky's diene and in 1,3-dipolar cycloadditions with nitrones and non-stabilized azomethine ylides. The influence of the CF3-group on both the activation of the double bond and the stereochemistry of the cycloaddition has been evaluated. New CF3-substituted mono- and polycyclic compounds 4 and 7, highly functionalized isoxazolidines 18, 19, 22 and 23 and pyrrolidines 12, 13 and 16 have been prepared.

  DOI：

  10.1016/0040-4020(95)00885-c

文献信息

• Cycloaddition of dienes and nitrones with di- and trisubstituted CF3-ethylenic compounds
  作者：D. Bonnet-Delpon、J.P. B/'egu/'e、J. d'Angelo、A. Guingant、T. Lequeux

  DOI：10.1016/s0022-1139(00)83574-5

  日期：1991.9
• Trifluoromethylalkenes in cycloaddition reactions
  作者：Danièle Bonnet-Delpon、Jean-Pierre Bégué、Thierry Lequeux、Michèle Ourevitch

  DOI：10.1016/0040-4020(95)00885-c

  日期：1996.1

  CF3-Substituted alkenes have been described to be good partners in Diels-Alder reactions with the Danishefsky's diene and in 1,3-dipolar cycloadditions with nitrones and non-stabilized azomethine ylides. The influence of the CF3-group on both the activation of the double bond and the stereochemistry of the cycloaddition has been evaluated. New CF3-substituted mono- and polycyclic compounds 4 and 7, highly functionalized isoxazolidines 18, 19, 22 and 23 and pyrrolidines 12, 13 and 16 have been prepared.