N'-ethyl-N-methyl-N-nitro-1,2,4,5-tetrazine-3,6-diamine | 1588874-20-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N'-ethyl-N-methyl-N-nitro-1,2,4,5-tetrazine-3,6-diamine
• CAS: 1588874-20-7
• 化学式: C₅H₉N₇O₂
• 分子量: 199.172
• InChiKey: IMJNGRDRYXIBAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.67
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  109.97
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N'-ethyl-N-methyl-N-nitro-1,2,4,5-tetrazine-3,6-diamine 在 硝酸 作用下， 以56%的产率得到N-ethyl-N'-methyl-N,N'-dinitro-1,2,4,5-tetrazine-3,6-diamine
  参考文献：
  名称：

  Synthesis and Properties of Alkylnitramino-1,2,4,5-Tetrazines

  摘要：

  The peculiarities of the nitration reaction under acidic conditions were studied for a series of alkylamino-1,2,4,5-tetrazines. It was found that the extent of N,N'-dialkyl-1,2,4,5-tetrazine-3,6-diamine nitration was determined by the concentration of nitric acid and the selection of alkyl substituents at the exocyclic nitrogen atom. A new method was developed for the preparation of unsymmetrically substituted N,N'-dialkyl-1,2,4,5-tetrazine-3,6-diamines from N-nitro derivatives of N-alkyl-1,2,4,5-tetrazin-3-amines.

  DOI：

  10.1007/s10593-014-1448-9
• 作为产物：
  描述：

  N,N'-dimethyl-N,N'-dinitro-1,2,4,5-tetrazine-3,6-diamine 、 乙胺 以 乙腈 为溶剂， 反应 0.08h， 以96%的产率得到N'-ethyl-N-methyl-N-nitro-1,2,4,5-tetrazine-3,6-diamine
  参考文献：
  名称：

  Synthesis and Properties of Alkylnitramino-1,2,4,5-Tetrazines

  摘要：

  The peculiarities of the nitration reaction under acidic conditions were studied for a series of alkylamino-1,2,4,5-tetrazines. It was found that the extent of N,N'-dialkyl-1,2,4,5-tetrazine-3,6-diamine nitration was determined by the concentration of nitric acid and the selection of alkyl substituents at the exocyclic nitrogen atom. A new method was developed for the preparation of unsymmetrically substituted N,N'-dialkyl-1,2,4,5-tetrazine-3,6-diamines from N-nitro derivatives of N-alkyl-1,2,4,5-tetrazin-3-amines.

  DOI：

  10.1007/s10593-014-1448-9