4-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
• 英文别名: 4-(2,4-Dichlorophenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid
• 化学式: C₁₃H₁₁Cl₂N₃O₂
• 分子量: 312.155
• InChiKey: LGYVQDIUZSVOPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  78
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid 在 sulfur 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以53%的产率得到4-(2,4-dichlorophenyl)-1H-imidazo[4,5-c]pyridine
  参考文献：
  名称：

  Dehydrogenation of 4-phenyl-substituted spinaceamine and spinacine

  摘要：

  The dehydrogenation of 4-phenyl-substituted spinaceamine and spinacine with elemental sulfur in dimethylformamide at 120-150 degrees C leads to the corresponding imidazo[4,5-c]pyridines. Sulfur may be regarded as a specific reagent for oxidative decarboxylation which accompanies dehydrogenation of 4-phenyl-substituted spinacine derivatives.

  DOI：

  10.1134/s1070428006040099
• 作为产物：
  描述：

  2,4-二氯苯甲醛 、 L-组氨酸 在 sodium hydroxide 作用下， 以 水 、 异丙醇 为溶剂， 反应 4.0h， 以95%的产率得到4-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
  参考文献：
  名称：

  Dehydrogenation of 4-phenyl-substituted spinaceamine and spinacine

  摘要：

  The dehydrogenation of 4-phenyl-substituted spinaceamine and spinacine with elemental sulfur in dimethylformamide at 120-150 degrees C leads to the corresponding imidazo[4,5-c]pyridines. Sulfur may be regarded as a specific reagent for oxidative decarboxylation which accompanies dehydrogenation of 4-phenyl-substituted spinacine derivatives.

  DOI：

  10.1134/s1070428006040099

文献信息

• Dehydrogenation of 4-phenyl-substituted spinaceamine and spinacine
  作者：N. N. Smolyar、M. G. Abramyants、Yu. M. Yutilov

  DOI：10.1134/s1070428006040099

  日期：2006.4

  The dehydrogenation of 4-phenyl-substituted spinaceamine and spinacine with elemental sulfur in dimethylformamide at 120-150 degrees C leads to the corresponding imidazo[4,5-c]pyridines. Sulfur may be regarded as a specific reagent for oxidative decarboxylation which accompanies dehydrogenation of 4-phenyl-substituted spinacine derivatives.