7-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo-[3,2-b]pyridine-3-carboxylic acid | 1219542-94-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 7-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo-[3,2-b]pyridine-3-carboxylic acid
• 英文别名: 7-(3,4-dimethoxyphenyl)-5-hydroxy-1-phenyl-6,7-dihydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid；7-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
• CAS: 1219542-94-5
• 化学式: C₂₂H₂₀N₂O₅
• 分子量: 392.411
• InChiKey: UYSWECJKELNYII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  89.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 dimethyl 3-amino-1-phenyl-1H-pyrrole-2,4-dicarboxylate 、 3,4-二甲氧基苯甲醛 在 potassium hydroxide 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 4.5h， 以68%的产率得到7-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrrolo-[3,2-b]pyridine-3-carboxylic acid
  参考文献：
  名称：

  Synthesis of 5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo-[3,2-b]pyridine-3-carboxylic acids by three-component condensation of 3-aminopyrrole derivatives

  摘要：

  5-Oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acids were prepared by three-component condensation of 3-aminopyrroles, (het)aromatic aldehydes and Meldrum's acid. The labile intermediate 3-aminopyrrole derivative was generated in situ by regioselective (at 2-position) decarboxylation of 3-aminopyrrole-2,4-dicarboxylic acid

  DOI：

  10.1016/j.mencom.2010.09.004

文献信息

• Synthesis of 5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo-[3,2-b]pyridine-3-carboxylic acids by three-component condensation of 3-aminopyrrole derivatives
  作者：Boris V. Lichitsky、Arkady A. Dudinov、Andrey N. Komogortsev、Mikhail M. Krayushkin

  DOI：10.1016/j.mencom.2010.09.004

  日期：2010.9

  5-Oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acids were prepared by three-component condensation of 3-aminopyrroles, (het)aromatic aldehydes and Meldrum's acid. The labile intermediate 3-aminopyrrole derivative was generated in situ by regioselective (at 2-position) decarboxylation of 3-aminopyrrole-2,4-dicarboxylic acid