4-trifluoromethyl-3-isopropyl-1-methyl-2-phenyl-1H-pyrrole | 1253394-27-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 4-trifluoromethyl-3-isopropyl-1-methyl-2-phenyl-1H-pyrrole
• 英文别名: 1-Methyl-2-phenyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole；1-methyl-2-phenyl-3-propan-2-yl-4-(trifluoromethyl)pyrrole
• CAS: 1253394-27-2
• 化学式: C₁₅H₁₆F₃N
• 分子量: 267.294
• InChiKey: UTEGNCMQHXQWIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-trifluoroacetyl-3-methyl-2-phenyl-1,3-oxazolium-5-olate 、 异丁基三苯基溴化膦 在 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 以6%的产率得到4-trifluoromethyl-3-isopropyl-1-methyl-2-phenyl-1H-pyrrole
  参考文献：
  名称：

  New Synthesis of 3-Trifluoromethylpyrroles by Condensation of Mesoionic 4-Trifluoroacetyl-1,3-oxazolium-5-olates with Phosphorus Ylides

  摘要：

  Mesoionic 4-trifluoroacetyl-1,3-oxazolium-5-olates (1), obtained from the reaction of N-acyl-N-alkylglycines with trifluoroacetic anhydride, react with phosphorus ylides to give beta-trifluoromethylpyrroles (2) in good yields. The novel ring transformations of 1 into 2 occur via an initial attack of the ylide anions on the C-2 position of the ring.

  DOI：

  10.1021/ol1018689

文献信息

• New Synthesis of 3-Trifluoromethylpyrroles by Condensation of Mesoionic 4-Trifluoroacetyl-1,3-oxazolium-5-olates with Phosphorus Ylides
  作者：Ryosuke Saijo、Yuri Hagimoto、Masami Kawase

  DOI：10.1021/ol1018689

  日期：2010.11.5

  Mesoionic 4-trifluoroacetyl-1,3-oxazolium-5-olates (1), obtained from the reaction of N-acyl-N-alkylglycines with trifluoroacetic anhydride, react with phosphorus ylides to give beta-trifluoromethylpyrroles (2) in good yields. The novel ring transformations of 1 into 2 occur via an initial attack of the ylide anions on the C-2 position of the ring.