5-(4-Methoxy-phenyl)-2-methyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-(4-Methoxy-phenyl)-2-methyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester
• 英文别名: Ethyl 5-(4-methoxyphenyl)-2-methyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyrrole-3-carboxylate；ethyl 5-(4-methoxyphenyl)-2-methyl-1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyrrole-3-carboxylate
• 化学式: C₂₁H₂₄N₄O₅
• 分子量: 412.445
• InChiKey: LVZHEOXGMXKCBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 1-(3-methoxyphenyl)-1,4-pentandione-3-carboxylate 、 1-(2-aminoethyl)-2-methyl-5-nitroimidazole dihydrochloride 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 以75%的产率得到5-(4-Methoxy-phenyl)-2-methyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and antibacterial activities of some 1-[2-(substituted pyrrol-1-yl)ethyl]-2-methyl-5-nitroimidazole derivatives

  摘要：

  In this study, some 1-[2-(substituted pyrrol-1-yl)ethyl]-2-methyl-5-nitroimidazole derivatives were synthesized by reacting 2-(2-methyl-5-nitro-1H-imidazolyl)ethylamine dihydrochloride, which was prepared using metronidazole, with some 1,4-dicarbonyl compounds. The structure elucidation of the compounds was performed by IR, H-1-NMR and mass spectroscopic data and elemental analysis results. Antimicrobial activities of the compounds were examined and notable activity was obtained. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80062-2