1-hydroxy-5-(4-propan-2-ylphenyl)tetrazole | 359761-85-6

• 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-hydroxy-5-(4-propan-2-ylphenyl)tetrazole
• CAS: 359761-85-6
• 化学式: C₁₀H₁₂N₄O
• 分子量: 204.231
• InChiKey: DNXPLOKUUYBGSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 1-hydroxy-5-(4-propan-2-ylphenyl)tetrazole 以75%的产率得到[5-(4-propan-2-ylphenyl)tetrazol-1-yl] acetate
  参考文献：
  名称：

  摘要：

  Chlorination of 1-hydroxyiminopentane gave 1-chloro-1-nitrosopentane which reacted with sodium azide in DMF to form pentanohydroximoyl azide. The azidation of benzohydroximoyl chlorides was always accompanied by decomposition to benzonitriles. Treatment of carbohydroximoyl azides in ether with gaseous hydrogen chloride afforded 5-butyl- and 5-aryl-1-hydroxytetrazoles which reacted with acetic anhydride to form the corresponding acetates.

  DOI：

  10.1023/a:1012453012799
• 作为产物：
  描述：

  p-isopropylbenzohydroximoyl chloride 在 盐酸 、 sodium azide 作用下， 以 乙醚 、 乙醇 为溶剂， 生成 1-hydroxy-5-(4-propan-2-ylphenyl)tetrazole
  参考文献：
  名称：

  摘要：

  Chlorination of 1-hydroxyiminopentane gave 1-chloro-1-nitrosopentane which reacted with sodium azide in DMF to form pentanohydroximoyl azide. The azidation of benzohydroximoyl chlorides was always accompanied by decomposition to benzonitriles. Treatment of carbohydroximoyl azides in ether with gaseous hydrogen chloride afforded 5-butyl- and 5-aryl-1-hydroxytetrazoles which reacted with acetic anhydride to form the corresponding acetates.

  DOI：

  10.1023/a:1012453012799