4-(5-phenyl-2-propyl-1H-pyrrol-3-yl)benzonitrile

• 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-(5-phenyl-2-propyl-1H-pyrrol-3-yl)benzonitrile
• 化学式: C₂₀H₁₈N₂
• 分子量: 286.376
• InChiKey: AOYCIZRZJRRGCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  39.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-cyanochalcone 在 吡啶 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正庚烷 、 乙基苯 为溶剂， 反应 1.5h， 生成 4-(5-phenyl-2-propyl-1H-pyrrol-3-yl)benzonitrile
  参考文献：
  名称：

  A Short Synthesis of 2,3,5-Trisubstituted Pyrroles by an Alkylation/Dehydrocyanation Sequence

  摘要：

  2,3,5-Trisubstituted pyrroles were prepared in a one-pot procedure from readily available 3,5-disubstituted 3,4-dihydro-2H-pyrrole-2-carbonitriles by an alkylation/dehydrocyanation sequence. The method was also applied to a,co-dihaloalkanes to furnish dipyrroles tethered with an alkyl spacer.

  DOI：

  10.3987/com-15-s(t)15

文献信息

• A Short Synthesis of 2,3,5-Trisubstituted Pyrroles by an Alkylation/Dehydrocyanation Sequence
  作者：Till Opatz、Murat Kucukdisli、Marco M. Nebe、Solveig M. Bartelt

  DOI：10.3987/com-15-s(t)15

  日期：——

  2,3,5-Trisubstituted pyrroles were prepared in a one-pot procedure from readily available 3,5-disubstituted 3,4-dihydro-2H-pyrrole-2-carbonitriles by an alkylation/dehydrocyanation sequence. The method was also applied to a,co-dihaloalkanes to furnish dipyrroles tethered with an alkyl spacer.