1-(4-methylphenyl)-1H-1,2,3-triazolo[4,5-c]pyridine | 64858-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-methylphenyl)-1H-1,2,3-triazolo[4,5-c]pyridine
• 英文别名: 1-(4-Methylphenyl)-1h-1,2,3-tri-azolo[4,5-c]pyridine；1-(4-methylphenyl)triazolo[4,5-c]pyridine
• CAS: 64858-67-9
• 化学式: C₁₂H₁₀N₄
• 分子量: 210.238
• InChiKey: CIODNULPRAKHGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-methylphenyl)-1H-1,2,3-triazolo[4,5-c]pyridine 在 sodium dithionite 、 硝酸 作用下， 以 乙醇 、 水 、 paraffin oil 为溶剂， 反应 4.67h， 生成 4-methyl-N1-(pyridin-4-yl)benzene-1,2-diamine
  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 盐酸 、 sodium dithionite 、 五氯化磷 、 N,N-二异丙基乙胺 、 sodium nitrite 、 三氯氧磷 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 15.5h， 生成 1-(4-methylphenyl)-1H-1,2,3-triazolo[4,5-c]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

文献信息

• Use of the Graebe-Ullmann reaction in the synthesis of 8-methyl-γ-carboline and isomeric aromatic aza-γ-carbolines
  作者：R. S. Alekseev、A. V. Kurkin、M. A. Yurovskaya

  DOI：10.1007/s10593-012-1127-7

  日期：2012.11

  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.