tetramethyl 1-(4-chlorophenyl)-1H-pyrrole-2,3,4,5-tetracarboxylate | 59959-70-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: tetramethyl 1-(4-chlorophenyl)-1H-pyrrole-2,3,4,5-tetracarboxylate
• 英文别名: tetramethyl 1-(p-chlorophenyl)pyrrole-2,3,4,5-tetracarboxylate；1-(4-chloro-phenyl)-pyrrole-2,3,4,5-tetracarboxylic acid tetramethyl ester；1-(4-Chlor-phenyl)-pyrrol-2,3,4,5-tetracarbonsaeure-tetramethylester；Tetramethyl 1-(4-chlorophenyl)pyrrole-2,3,4,5-tetracarboxylate；tetramethyl 1-(4-chlorophenyl)pyrrole-2,3,4,5-tetracarboxylate
• CAS: 59959-70-5
• 化学式: C₁₈H₁₆ClNO₈
• 分子量: 409.78
• InChiKey: DARZLDCAIBKVFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  4-氯苯基羟胺 在 苯 作用下， 生成 tetramethyl 1-(4-chlorophenyl)-1H-pyrrole-2,3,4,5-tetracarboxylate
  参考文献：
  名称：

  A New Route to 1-Aryl Pyrroles¹

  摘要：

  DOI：

  10.1021/ja01583a046

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.
• 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.