2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine | 138536-05-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine
• CAS: 138536-05-7；138536-06-8
• 化学式: C₁₇H₁₆F₃NO
• 分子量: 307.315
• InChiKey: LTZMILWUKXTPPB-UHFFFAOYSA-N

物化性质

• 沸点：
  352.2±52.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12.47
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  3-(三氟甲基)苯乙烯 、 N-methyl-α-phenylnitrone 以 甲苯 为溶剂， 反应 48.0h， 以60%的产率得到2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine
  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
• 1, 3-Dipolar cycloaddition between ethyl trifluoroacetoacetate and N-(benzylidene)methylamine N-oxide
  作者：Jean-Pierre Bégué、Danièle Bonnet-Delpon、Thierry Lequeux

  DOI：10.1039/p19910002888

  日期：——

  The 1,3-dipolar cycloaddition between ethyl trifluoroacetoacetate and N-(benzylidene)methylamine N-oxide, performed in boiling toluene, leads regio- and stereo-selectively to an isoxazolidine, while the corresponding ethyl acetoacetate is found to be unreactive under the same conditions. On the other hand, alpha-trifluoromethylstyrene behaves as alpha-methylstyrene and affords two diastereoisomeric trifluoromethyl-substituted cycloadducts.
• 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.