1,4-Bis-(4-bromo-phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester | 146537-35-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1,4-Bis-(4-bromo-phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 1,4-bis(4-bromophenyl)-2-methylpyrrole-3-carboxylate
• CAS: 146537-35-1
• 化学式: C₂₀H₁₇Br₂NO₂
• 分子量: 463.168
• InChiKey: KYCVDQPDJSJAHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-Bis-(4-bromo-phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以60%的产率得到1,4-Bis-(4-bromo-phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
  参考文献：
  名称：

  Research on antibacterial and antifungal agents. VIII. synthesis and antimicrobial activity of 1,4-diarylpyrroles

  摘要：

  The synthesis and the antimicrobial activity of 1,4-diarylpyrroles are reported. The obtained data in comparison with pyrrolnitrin show that many acid derivatives 4 exhibit a selective activity against some strains of Candida spp and poor activity against strains of Candida albicans. All ester derivatives 3 are inactive. The results obtained are discussed on the basis of structure-activity relationships.

  DOI：

  10.1016/0223-5234(92)90092-f
• 作为产物：
  描述：

  乙酰乙酸乙酯 、 1-(4-Bromo-phenyl)-2-(4-bromo-phenylamino)-ethanone 在 4-溴苯铵溴化物 、 zinc(II) chloride 作用下， 以 苯 为溶剂， 反应 20.0h， 以50%的产率得到1,4-Bis-(4-bromo-phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Research on antibacterial and antifungal agents. VIII. synthesis and antimicrobial activity of 1,4-diarylpyrroles

  摘要：

  The synthesis and the antimicrobial activity of 1,4-diarylpyrroles are reported. The obtained data in comparison with pyrrolnitrin show that many acid derivatives 4 exhibit a selective activity against some strains of Candida spp and poor activity against strains of Candida albicans. All ester derivatives 3 are inactive. The results obtained are discussed on the basis of structure-activity relationships.

  DOI：

  10.1016/0223-5234(92)90092-f