tetraethyl 1-phenyl-1H-pyrrole-2,3,4,5-tetracarboxylate | 1260495-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: tetraethyl 1-phenyl-1H-pyrrole-2,3,4,5-tetracarboxylate
• 英文别名: tetraethyl 1-phenyl-2,3,4,5-tetracarbonylpyrrole；Tetraethyl 1-phenylpyrrole-2,3,4,5-tetracarboxylate
• CAS: 1260495-44-0
• 化学式: C₂₂H₂₅NO₈
• 分子量: 431.442
• InChiKey: SMHZLXSYMSSCTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  苯胺 、 丁炔二酸二乙酯 在 氧气 、 copper diacetate 、 caesium carbonate 作用下， 以 乙腈 为溶剂， 以70%的产率得到tetraethyl 1-phenyl-1H-pyrrole-2,3,4,5-tetracarboxylate
  参考文献：
  名称：

  Synthesis of pyrrole-2,3,4,5-tetracarboxylates via a copper-catalyzed reaction of amine with but-2-ynedioate

  摘要：

  A copper-catalyzed reaction of amine with but-2-ynedioate gives rise to pyrrole-2,3,4,5-tetracarboxylates in moderate to good yields. The reaction proceeds in the presence of dioxygen with the formation of three bonds during the process. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.03.061

文献信息

• Conventional and Microwave-Assisted Facile One-Pot Synthesis of N-Substituted Pyrrole-2,3,4,5-tetracarboxylates Under Neat Conditions
  作者：H. Valizadeh、M. M. Heravi、M. Amiri

  DOI：10.1080/00397910903531680

  日期：2010.11.16

  Highly substituted pyrroles 3a,f were prepared conveniently in a reaction of (dimethyl- and diethyl-)acethylenedicarboxylates 1a-b with N-(methyl- and aryl-) hydroxylamines 2a-d in the presence of NaHCO3 using both conventional heating and microwave irradiation. Excelent yields of the very pure products were isolated under solvent-free conditions both at classical as well as microwave heating.