ethyl 5-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate | 899371-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 5-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
• 英文别名: ethyl 5-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]triazole-4-carboxylate
• CAS: 899371-74-5
• 化学式: C₁₁H₁₁N₇O₄
• mdl: MFCD07023027
• 分子量: 305.253
• InChiKey: NUOHQGZSNVCNIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3-Azido-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazole 、 乙酰乙酸乙酯 在 potassium carbonate 作用下， 以 水 、 丙酮 为溶剂， 以78%的产率得到ethyl 5-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
  参考文献：
  名称：

  Synthesis of 1,2,4-oxadiazole-, pyrrole- and 1,2,3-triazole-substituted (1,2,3-triazol-1-yl)furazans

  摘要：

  The synthesis of tricyclic compounds with hitherto unknown combinations of heterocycles (1,2,3-triazol-1-yl)-1,2,5-oxadiazoles with 1,2,4-oxadiazol-3-yl, pyrrol-1-yl or 1,2,3-triazol-1-yl substituents at the furazan ring, was developed by interaction of corresponding substituted azidofurazans with 1,3-dicarbonyl compounds, and pyrrolyl derivatives were also synthesised by condensation of amino(1,2,3-triazol-1-yl)furazans with 2,5-dimethoxytetrahydrofuran.

  DOI：

  10.1016/j.mencom.2008.05.017