1-(5-Methyl-isoxazol-3-yl)-5-o-tolyl-1H-tetrazole | 238097-05-7

• 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-(5-Methyl-isoxazol-3-yl)-5-o-tolyl-1H-tetrazole
• 英文别名: 5-Methyl-3-[5-(2-methylphenyl)tetrazol-1-yl]-1,2-oxazole
• CAS: 238097-05-7
• 化学式: C₁₂H₁₁N₅O
• 分子量: 241.252
• InChiKey: OUNPDUYCIIZHLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(5-Methyl-isoxazol-3-yl)-5-o-tolyl-1H-tetrazole 以 萘烷 为溶剂， 反应 2.0h， 以55%的产率得到1-(3-o-Tolyl-[1,2,4]triazin-6-yl)-ethanone
  参考文献：
  名称：

  Synthesis of 1-(5-Methylisoxazole-3-yl)-5-Aryl-Tetrazoles and its Pyrolysis

  摘要：

  3-Aroylamino-5-methylisoxazoles (2) were obtained by the reaction of 3-amino-5-methylisoxazole (1) with different aroyl chlorides. These amides on reaction with phosphorous pentachloride followed by sodium azide yielded 1-(5-methylisoxazole-3-yl)-5-aryltetrazo (4). Pyrolysis of the tetrazoles thus obtained resulted in the formation of 3-aryl-6-acetyl(1,2-4)triazines (9).

  DOI：

  10.1080/00397919908086453
• 作为产物：
  描述：

  2-methyl-N-(5-methylisoxazol-3-yl)benzamide 在 sodium azide 、 五氯化磷 、 sodium acetate 作用下， 以 水 、 丙酮 为溶剂， 反应 12.5h， 生成 1-(5-Methyl-isoxazol-3-yl)-5-o-tolyl-1H-tetrazole
  参考文献：
  名称：

  Synthesis of 1-(5-Methylisoxazole-3-yl)-5-Aryl-Tetrazoles and its Pyrolysis

  摘要：

  3-Aroylamino-5-methylisoxazoles (2) were obtained by the reaction of 3-amino-5-methylisoxazole (1) with different aroyl chlorides. These amides on reaction with phosphorous pentachloride followed by sodium azide yielded 1-(5-methylisoxazole-3-yl)-5-aryltetrazo (4). Pyrolysis of the tetrazoles thus obtained resulted in the formation of 3-aryl-6-acetyl(1,2-4)triazines (9).

  DOI：

  10.1080/00397919908086453