(E)-1-(4-(1H-pyrrol-2-yl)but-3en-2-ylidene)pyrrolidinium perchlorat | 1086408-45-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (E)-1-(4-(1H-pyrrol-2-yl)but-3en-2-ylidene)pyrrolidinium perchlorat
• 英文别名: 2-[(E)-3-pyrrolidin-1-ium-1-ylidenebut-1-enyl]-1H-pyrrole;perchlorate
• CAS: 1086408-45-8
• 化学式: C₁₂H₁₇N₂*ClO₄
• 分子量: 288.731
• InChiKey: QWFSPKBQUYOQGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.46
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-pyrrylmethylene)pyrrolidinium perchlorate 、 丙酮 以100%的产率得到(E)-1-(4-(1H-pyrrol-2-yl)but-3en-2-ylidene)pyrrolidinium perchlorat
  参考文献：
  名称：

  Facile Synthesis of Unsubstituted β,β′-Linked Diformyldipyrromethanes

  摘要：

  Unsubstituted beta,beta'-linked diformyldipyrromethanes are promising precursors for the synthesis of novel poly dipyrromethene ligands and N-confused porphyrins. A strategy has been developed to selectively synthesize unsubstituted beta,beta'-linked diformyldipyrromethanes in moderate yields starting from 2-formylpyrrole.

  DOI：

  10.1021/jo802114h

文献信息

• Facile Synthesis of Unsubstituted β,β′-Linked Diformyldipyrromethanes
  作者：Zhan Zhang、Ji-Young Shin、David Dolphin

  DOI：10.1021/jo802114h

  日期：2008.12.5

  Unsubstituted beta,beta'-linked diformyldipyrromethanes are promising precursors for the synthesis of novel poly dipyrromethene ligands and N-confused porphyrins. A strategy has been developed to selectively synthesize unsubstituted beta,beta'-linked diformyldipyrromethanes in moderate yields starting from 2-formylpyrrole.