2-(4-pyridyl)imidazo[4,5-c]pyridin-4-one | 1025446-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(4-pyridyl)imidazo[4,5-c]pyridin-4-one
• CAS: 1025446-20-1
• 化学式: C₁₁H₈N₄O
• 分子量: 212.211
• InChiKey: FEABWFPNVKAJCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.43
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(4-pyridyl)imidazo[4,5-c]pyridin-4-one 在 硫酸 、 硝酸 、 一水合肼 作用下， 生成 7-methyl-2-(4-pyridyl)imidazo[4,5-d]pyridazin-4-one
  参考文献：
  名称：

  Synthesis of 2-hetarylimidazo[4,5-d]pyridazine derivatives

  摘要：

  2-Chloropyridine-3,4-diamine reacted with hetarenecarboxylic acids (pyridine-2-, pyridine-3-, and pyridine-4-carboxylic acids and 6-oxo-1,6-dihydropyridazine-3-carboxylic acid) in polyphosphoric acid at 160-170 degrees C to give the corresponding 2-hetarylimidazo[4,5-c]pyridin-4-ones. Nitration of the latter with a mixture of concentrated nitric and sulfuric acids led to the formation of 2-hetaryl-7-nitroimidazo[4,5-c]pyridin-4-ones which were converted into 2-hetaryl-7-methylimidazo[4,5-d]pyridazin-4-ones by the action of hydrazine hydrate at 140-150 degrees C.

  DOI：

  10.1134/s1070428007060164
• 作为产物：
  描述：

  异烟酸 、 2-氯-3,4-二氨基吡啶 在 PPA 作用下， 反应 4.0h， 以61%的产率得到2-(4-pyridyl)imidazo[4,5-c]pyridin-4-one
  参考文献：
  名称：

  Synthesis of 2-hetarylimidazo[4,5-d]pyridazine derivatives

  摘要：

  2-Chloropyridine-3,4-diamine reacted with hetarenecarboxylic acids (pyridine-2-, pyridine-3-, and pyridine-4-carboxylic acids and 6-oxo-1,6-dihydropyridazine-3-carboxylic acid) in polyphosphoric acid at 160-170 degrees C to give the corresponding 2-hetarylimidazo[4,5-c]pyridin-4-ones. Nitration of the latter with a mixture of concentrated nitric and sulfuric acids led to the formation of 2-hetaryl-7-nitroimidazo[4,5-c]pyridin-4-ones which were converted into 2-hetaryl-7-methylimidazo[4,5-d]pyridazin-4-ones by the action of hydrazine hydrate at 140-150 degrees C.

  DOI：

  10.1134/s1070428007060164