cyanoimino-(2-nitropropan-2-yl)-oxidoazanium | 133526-85-9

• 分子结构分类: 有机化合物
• 英文名称: cyanoimino-(2-nitropropan-2-yl)-oxidoazanium
• CAS: 133526-85-9
• 化学式: C₄H₆N₄O₃
• 分子量: 158.117
• InChiKey: FMGSNNIMCDFEOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.44
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  105.36
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  cyanoimino-(2-nitropropan-2-yl)-oxidoazanium 在 盐酸 作用下， 以 四氯化碳 为溶剂， 以75%的产率得到2,4,6-tris-1,3,5-triazine
  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：

  氰胺 、 2-硝基-2-亚硝基丙烷 在 1,3-二溴-1,3,5-三嗪-2,4,6-三酮 作用下， 以 乙醚 为溶剂， 以80%的产率得到cyanoimino-(2-nitropropan-2-yl)-oxidoazanium
  参考文献：
  名称：

  New regiospecific methods for the synthesis of N?-cyanodiazene N-oxides

  摘要：

  New regiospecific methods have been developed for the synthesis of aliphatic, aromatic, and heterocyclic N'-cyanodiazene N-oxides based on the reactions of nitroso compounds with a system containing the sodium salt of cyanamide and tert-butyl hypochlorite and with a system containing cyanamide and dibromoiocyanurate.

  DOI：

  10.1007/bf01184538