3-(Cyano-non-azoxy)-4-methyl-1,2,5-oxadiazole | 133526-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(Cyano-non-azoxy)-4-methyl-1,2,5-oxadiazole
• 英文别名: cyanoimino-(4-methyl-1,2,5-oxadiazol-3-yl)-oxidoazanium
• CAS: 133526-87-1
• 化学式: C₄H₃N₅O₂
• mdl: MFCD00820596
• 分子量: 153.1
• InChiKey: GNISYVIHFMWNTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(Cyano-non-azoxy)-4-methyl-1,2,5-oxadiazole 在 盐酸 作用下， 反应 2.0h， 以54.5%的产率得到
  参考文献：
  名称：

  Chemical properties of N'-cyanodiazene N-oxides. Reactions involving the nitrile group

  摘要：

  The reactivity of the nitrile group in N'-cyanodiazene N-oxides has been examined for the first time. A general approach to the synthesis of nitrogenous functional derivatives of azoxycarboxylic acids by reaction of N'-cyanodiazene N-oxides with nucleophiles (water, alcohol, and hydroxylamine) is described. A method of synthesis of novel azoxy-1,2,4-oxadiazoles and tetrazoles has been developed in which aliphatic, aromatic, or heterocyclic N'-cyanodiazene N-oxides are reacted with benzonitrile N-oxide or sodium azide. Trimerization of N-cyanodiazene N-oxides, catalyzed by anhydrous HCl, has given novel symm-triazines in which the heterocycle bears three diazene N-oxide groups.

  DOI：

  10.1007/bf00961253