tetraethyl 1-benzyl-1H-pyrrole-2,3,4,5-tetracarboxylate | 1203509-42-5

• 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-benzyl-1H-pyrrole-2,3,4,5-tetracarboxylate
• 英文别名: Tetraethyl 1-benzylpyrrole-2,3,4,5-tetracarboxylate；tetraethyl 1-benzylpyrrole-2,3,4,5-tetracarboxylate
• CAS: 1203509-42-5
• 化学式: C₂₃H₂₇NO₈
• 分子量: 445.469
• InChiKey: BCNRJNBYQAJPLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 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：

  苄胺 、 丁炔二酸二乙酯 在 potassium phosphate 、 氧气 、 copper diacetate 作用下， 以 乙腈 为溶剂， 以58%的产率得到tetraethyl 1-benzyl-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

• One-Pot Silver-Catalyzed and PIDA-Mediated Sequential Reactions: Synthesis of Polysubstituted Pyrroles Directly from Alkynoates and Amines
  作者：Weibing Liu、Huanfeng Jiang、Liangbin Huang

  DOI：10.1021/ol9026478

  日期：2010.1.15

  The addition/oxidative cyclization of alkynes with amines in the presence of AgBF4 catalyst and PIDA oxidant leads to polysubstituted pyrroles. The reaction corresponds to the construction of a pyrrole fragment, which also provides a new way to the formation of C-C bonds.
• Synthesis of pyrrole-2,3,4,5-tetracarboxylates via a copper-catalyzed reaction of amine with but-2-ynedioate
  作者：Ling Zhang、Xianbo Wang、Shaoyu Li、Jie Wu

  DOI：10.1016/j.tet.2013.03.061

  日期：2013.5

  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.