1-(4-Fluoro-phenyl)-2-methyl-4-p-tolyl-1H-pyrrole-3-carboxylic acid ethyl ester | 146537-42-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(4-Fluoro-phenyl)-2-methyl-4-p-tolyl-1H-pyrrole-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 1-(4-fluorophenyl)-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxylate
• CAS: 146537-42-0
• 化学式: C₂₁H₂₀FNO₂
• 分子量: 337.394
• InChiKey: QERTUKMLHJJJJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Fluoro-phenyl)-2-methyl-4-p-tolyl-1H-pyrrole-3-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以75%的产率得到1-(4-Fluoro-phenyl)-2-methyl-4-p-tolyl-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 、 2-(4-fluorophenylamino)-1-p-tolylethan-1-one 在 p-fluoroanilinium bromide 、 zinc(II) chloride 作用下， 以 苯 为溶剂， 反应 20.0h， 以80%的产率得到1-(4-Fluoro-phenyl)-2-methyl-4-p-tolyl-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

文献信息

• Research on antibacterial and antifungal agents. VIII. synthesis and antimicrobial activity of 1,4-diarylpyrroles
  作者：GC Porretta、M Biava、R Fioravanti、M Fischetti、C Melino、F Venza、P Bolle、B Tita

  DOI：10.1016/0223-5234(92)90092-f

  日期：1992.10

  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.