N-[4-(1H-tetrazol-1-yl)phenyl]acetamide | 309742-07-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[4-(1H-tetrazol-1-yl)phenyl]acetamide
• 英文别名: N-[4-(tetrazol-1-yl)phenyl]acetamide
• CAS: 309742-07-2
• 化学式: C₉H₉N₅O
• mdl: MFCD02103043
• 分子量: 203.203
• InChiKey: GYKMWESSHHRRKK-UHFFFAOYSA-N

物化性质

• 熔点：
  223-224 °C(Solv: ethanol (64-17-5))
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  72.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[4-(1H-tetrazol-1-yl)phenyl]acetamide 在 盐酸 作用下， 以 水 为溶剂， 生成 4-(1H-四唑-1-基)苯胺
  参考文献：
  名称：

  Synthesis and transformations of 1-(azidophenyl)-1H-tetrazoles

  摘要：

  Diazotization of 1-(aminophenyl)-1H-tetrazoles and subsequent treatment of the diazonium salts with sodium azide gave 1-(azidophenyl)-1H-tetrazoles which were brought into cyclization with ethyl acetoacetate and cyanoacetanilide to obtain 1,2,3-triazole derivatives. Under these conditions, the tetrazole ring may undergo cleavage with formation of cyanamide group.

  DOI：

  10.1134/s1070428010040196
• 作为产物：
  描述：

  原甲酸三乙酯 、 4′-氨基乙酰苯胺 在 sodium azide 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以79%的产率得到N-[4-(1H-tetrazol-1-yl)phenyl]acetamide
  参考文献：
  名称：

  Synthesis and transformations of 1-(azidophenyl)-1H-tetrazoles

  摘要：

  Diazotization of 1-(aminophenyl)-1H-tetrazoles and subsequent treatment of the diazonium salts with sodium azide gave 1-(azidophenyl)-1H-tetrazoles which were brought into cyclization with ethyl acetoacetate and cyanoacetanilide to obtain 1,2,3-triazole derivatives. Under these conditions, the tetrazole ring may undergo cleavage with formation of cyanamide group.

  DOI：

  10.1134/s1070428010040196

文献信息

• Synthesis and transformations of 1-(azidophenyl)-1H-tetrazoles
  作者：N. T. Pokhodylo、V. S. Matiichuk、N. D. Obushak

  DOI：10.1134/s1070428010040196

  日期：2010.4

  Diazotization of 1-(aminophenyl)-1H-tetrazoles and subsequent treatment of the diazonium salts with sodium azide gave 1-(azidophenyl)-1H-tetrazoles which were brought into cyclization with ethyl acetoacetate and cyanoacetanilide to obtain 1,2,3-triazole derivatives. Under these conditions, the tetrazole ring may undergo cleavage with formation of cyanamide group.