(1-hexadecyl-1H-1,2,4-triazol-4-ium-4-yl)(nitro)azanide

• 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-hexadecyl-1H-1,2,4-triazol-4-ium-4-yl)(nitro)azanide
• 英文别名: (1-hexadecyl-1,2,4-triazol-4-ium-4-yl)-nitroazanide
• 化学式: C₁₈H₃₅N₅O₂
• mdl: MFCD00374009
• 分子量: 353.508
• InChiKey: FHTIDCNTHDYTDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  25
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  68.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  溴代十六烷 、 N-(4H-1,2,4-triazol-4-yl)nitramide 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以50%的产率得到(1-hexadecyl-1H-1,2,4-triazol-4-ium-4-yl)(nitro)azanide
  参考文献：
  名称：

  摘要：

  Nitration of 4-amino-1,2,4-triazole with nitric acid in acetic anhydride gives the corresponding N-nitroamino derivative which has an inner salt structure. Its alkylation with alkyl halides, as well as with oxiranes, occurs only at the endocyclic nitrogen atom, while the exocyclic reaction center is not involved. All the I-substituted products have the structure of 1-alkyl-1,2,4-triazol-1-io-4-N-nitroimides.

  DOI：

  10.1023/a:1021616232356

文献信息

• ——
  作者：T. P. Kofman、G. Yu. Kartseva、M. B. Shcherbinin

  DOI：10.1023/a:1021616232356

  日期：——

  Nitration of 4-amino-1,2,4-triazole with nitric acid in acetic anhydride gives the corresponding N-nitroamino derivative which has an inner salt structure. Its alkylation with alkyl halides, as well as with oxiranes, occurs only at the endocyclic nitrogen atom, while the exocyclic reaction center is not involved. All the I-substituted products have the structure of 1-alkyl-1,2,4-triazol-1-io-4-N-nitroimides.