1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonitrile | 1224096-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonitrile
• 英文别名: 1,2-Dimethyl-5-phenylpyrrole-3-carbonitrile；1,2-dimethyl-5-phenylpyrrole-3-carbonitrile
• CAS: 1224096-89-2
• 化学式: C₁₃H₁₂N₂
• 分子量: 196.252
• InChiKey: QCGQJTIHWAZPKS-UHFFFAOYSA-N

物化性质

• 沸点：
  337.4±30.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  28.7
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  色酮-3-甲腈 、 (2S)-2-[苯甲酰基(甲基)氨基]丙酸 在 乙酸酐 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 以40%的产率得到1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonitrile
  参考文献：
  名称：

  N-Substituted and N-unsubstituted 1,3-Oxazolium-5-olates cycloaddition reactions with 3-substituted coumarins

  摘要：

  The 1,3-dipolar cycloaddition reaction of unsymmetrically N-substituted and N-unsubstituted 1,3-oxazolium-5-olates with selected 3-substituted coumarins has been examined Various types of pyrrole derivatives are isolated and their formation seems to be a function of the regio- and diastereochemistry of the initial cycloaddition step (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.02.009

文献信息

• N-Substituted and N-unsubstituted 1,3-Oxazolium-5-olates cycloaddition reactions with 3-substituted coumarins
  作者：Massimiliano Cordaro、Giovanni Grassi、Francesco Risitano、Angela Scala

  DOI：10.1016/j.tet.2010.02.009

  日期：2010.4

  The 1,3-dipolar cycloaddition reaction of unsymmetrically N-substituted and N-unsubstituted 1,3-oxazolium-5-olates with selected 3-substituted coumarins has been examined Various types of pyrrole derivatives are isolated and their formation seems to be a function of the regio- and diastereochemistry of the initial cycloaddition step (C) 2010 Elsevier Ltd All rights reserved