2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide | 1257542-11-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
• CAS: 1257542-11-2
• 化学式: C₁₇H₁₅FN₄O₂
• 分子量: 326.33
• InChiKey: ASOBBLMZACRPPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl N-(4-methoxybenzyl)oxamate 在 氨 、 溶剂黄146 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 反应 18.0h， 生成 2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
  参考文献：
  名称：

  Practical Synthesis of Functionalized 1,5-Disubstituted 1,2,4-Triazole Derivatives

  摘要：

  A general approach for the synthesis of 1,5-disubstituted-1,2,4-triazole compounds is described. A series of new oxamide-derived amidine reagents can be accessed in excellent yield with minimal purification necessary. Typically, these amidine reagents are stable crystalline solids and in certain cases were found to exist in a cyclic form as determined by NMR spectroscopy. Under optimized conditions, the direct reaction of these prepared reagents with various hydrazine hydrochloride salts efficiently generates the target triazoles. Both aromatic and aliphatic hydrazines react readily with the amidine reagents under very mild reaction conditions, delivering desired 1,5-disubstituted-1,2,4-triazole derivatives in good yields.

  DOI：

  10.1021/jo1017603