N-(1-Methyl-1-nitro-ethyl)-N'-(1H-tetrazol-5-yl)-diazene N-oxide | 136852-96-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(1-Methyl-1-nitro-ethyl)-N'-(1H-tetrazol-5-yl)-diazene N-oxide
• CAS: 136852-96-5
• 化学式: C₄H₇N₇O₃
• 分子量: 201.145
• InChiKey: AYHUNSXQCVHSLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.19
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  136.03
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-(1-Methyl-1-nitro-ethyl)-N'-(1H-tetrazol-5-yl)-diazene N-oxide 、 硫酸二甲酯 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 反应 40.0h， 以27.5%的产率得到N-(1-Methyl-1-nitro-ethyl)-N'-(1-methyl-1H-tetrazol-5-yl)-diazene N-oxide
  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
• 作为产物：
  描述：

  cyanoimino-(2-nitropropan-2-yl)-oxidoazanium 在 sodium azide 作用下， 以 水 为溶剂， 反应 3.0h， 以94%的产率得到N-(1-Methyl-1-nitro-ethyl)-N'-(1H-tetrazol-5-yl)-diazene N-oxide
  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