1-(4-methylphenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid | 1017415-39-2

• 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)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
• 英文别名: 5-phenyl-1-(p-tolyl)-1H-1,2,3-triazole-4-carboxylic acid；1-(4-methylphenyl)-5-phenyltriazole-4-carboxylic acid
• CAS: 1017415-39-2
• 化学式: C₁₆H₁₃N₃O₂
• mdl: MFCD10006470
• 分子量: 279.298
• InChiKey: BWYMZFDJNFEMKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-1,2,3-triazole-4,4-dicarbonitrile 在 盐酸 、 水 作用下， 反应 10.0h， 生成 1-(4-methylphenyl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
  参考文献：
  名称：

  Reactions of 2-benzylidenemalononitrile and 2-nitro-3-phenylacrylonitrile with aryl azides

  摘要：

  Reactions of 2-benzylidenemalononitrile and 2-nitro-3-phenylacrylonitrile with aryl azides in diethyl ether at room temperature gave mixtures of regioisomeric 1(3)-aryl-5-phenyl-4,5-dihydro-1(3)H-1,2,3-triazole-4,4-dicarbonitriles and 1-aryl-5(4)-phenyl-1H-1,2,3-triazole-5(4)-carbonitriles, respectively. 2-Benzylidenemalononitrile reacted with the same arylazides on heating in boiling chloroform to produce 1-aryl-2-phenylaziridine-2,2-dicarbonitriles.

  DOI：

  10.1134/s107042801104018x

文献信息

• Reactions of 2-benzylidenemalononitrile and 2-nitro-3-phenylacrylonitrile with aryl azides
  作者：S. B. Nosachev、N. A. Shchurova、A. G. Tyrkov

  DOI：10.1134/s107042801104018x

  日期：2011.4

  Reactions of 2-benzylidenemalononitrile and 2-nitro-3-phenylacrylonitrile with aryl azides in diethyl ether at room temperature gave mixtures of regioisomeric 1(3)-aryl-5-phenyl-4,5-dihydro-1(3)H-1,2,3-triazole-4,4-dicarbonitriles and 1-aryl-5(4)-phenyl-1H-1,2,3-triazole-5(4)-carbonitriles, respectively. 2-Benzylidenemalononitrile reacted with the same arylazides on heating in boiling chloroform to produce 1-aryl-2-phenylaziridine-2,2-dicarbonitriles.