4-(2-hydroxyphenyl)-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonitrile | 1224096-88-1

• 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-(2-hydroxyphenyl)-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonitrile
• 英文别名: 4-(2-Hydroxyphenyl)-1,2-dimethyl-5-phenylpyrrole-3-carbonitrile；4-(2-hydroxyphenyl)-1,2-dimethyl-5-phenylpyrrole-3-carbonitrile
• CAS: 1224096-88-1
• 化学式: C₁₉H₁₆N₂O
• 分子量: 288.349
• InChiKey: WRKWLRAZBSEAHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  49
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  香豆素-3腈 、 3,4-dimethyl-2-phenyl-1,3-oxazolium-5-olate 以 甲苯 为溶剂， 反应 3.0h， 以35%的产率得到4-(2-hydroxyphenyl)-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