tetramethyl 1-methylpyrrole-2,3,4,5-tetracarboxylate | 66405-70-7

• 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-methylpyrrole-2,3,4,5-tetracarboxylate
• 英文别名: N-Methyl-pyrrol-2,3,4,5-tetracarbonsaeure-tetramethylester；tetramethyl 1-methyl-1H-pyrrole-2,3,4,5-tetracarboxylate；1-methyl-pyrrole-2,3,4,5-tetracarboxylic acid tetramethyl ester
• CAS: 66405-70-7
• 化学式: C₁₃H₁₅NO₈
• 分子量: 313.264
• InChiKey: MIEISEZLHFRCIT-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120 °C
• 沸点：
  348.4±37.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  2-Methylamino-5-oxo-3.4-bis-(methoxycarbonyl)-hexen-(2)-disaeure-(1.6)-dimethylester 在 硫酸 作用下， 以77%的产率得到tetramethyl 1-methylpyrrole-2,3,4,5-tetracarboxylate
  参考文献：
  名称：

  Carr, Richard M.; Norman, Richard O. C.; Vernon, John M., Journal of the Chemical Society. Perkin transactions I, 1980, p. 156 - 162

  摘要：

  DOI：

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.
• CARR R. M.; NORMAN R. O. C.; VERNON J. M., J. CHEM. SOC. PERKIN TRANS., 1980, PART 1, NO 1, 156-162
  作者：CARR R. M.、 NORMAN R. O. C.、 VERNON J. M.

  DOI：——

  日期：——
• OUALI M. S.; VAULTIER M.; CARRIE R., BULL. SOC. CHIM. FRANCE, 1979, PART 2, NO 11-12, 633-643
  作者：OUALI M. S.、 VAULTIER M.、 CARRIE R.

  DOI：——

  日期：——