4-amino-1-(3-nitropyridin-4-yl)pyridinium chloride | 1412913-76-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 4-amino-1-(3-nitropyridin-4-yl)pyridinium chloride
• 英文别名: 1-(3-nitropyridin-4-yl)pyridin-1-ium-4-amine;chloride
• CAS: 1412913-76-8
• 化学式: C₁₀H₉N₄O₂*Cl
• 分子量: 252.66
• InChiKey: CFTIYNVZHIBFAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.15
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-氨基吡啶 、 4-amino-1-(3-nitropyridin-4-yl)pyridinium chloride 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以70%的产率得到3-nitro-4-(4-pyridylamino)pyridine
  参考文献：
  名称：

  Use of the Graebe-Ullmann reaction in the synthesis of 8-methyl-γ-carboline and isomeric aromatic aza-γ-carbolines

  摘要：

  Two variants of the Graebe-Ullmann reaction were used to obtain 8-methyl-5H-pyrido[4,3-b]indole (8-methyl-gamma-carboline) and the conditions for this reaction were optimized. The feasibility of using this method was studied for the synthesis of a series of isomeric aromatic aza-gamma-carbolines from the corresponding 1-(pyridyl)-1H-1,2,3-triazolo[4,5-c]pyridines under thermal and microwave irradiation conditions.

  DOI：

  10.1007/s10593-012-1127-7
• 作为产物：
  描述：

  4-羟基-3-硝基吡啶 在 五氯化磷 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 11.0h， 生成 4-amino-1-(3-nitropyridin-4-yl)pyridinium chloride
  参考文献：
  名称：

  Use of the Graebe-Ullmann reaction in the synthesis of 8-methyl-γ-carboline and isomeric aromatic aza-γ-carbolines

  摘要：

  Two variants of the Graebe-Ullmann reaction were used to obtain 8-methyl-5H-pyrido[4,3-b]indole (8-methyl-gamma-carboline) and the conditions for this reaction were optimized. The feasibility of using this method was studied for the synthesis of a series of isomeric aromatic aza-gamma-carbolines from the corresponding 1-(pyridyl)-1H-1,2,3-triazolo[4,5-c]pyridines under thermal and microwave irradiation conditions.

  DOI：

  10.1007/s10593-012-1127-7