N,N'-dicyclopentyl-N-nitro-1,2,4,5-tetrazine-3,6-diamine | 1588874-07-0

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: N,N'-dicyclopentyl-N-nitro-1,2,4,5-tetrazine-3,6-diamine
• CAS: 1588874-07-0
• 化学式: C₁₂H₁₉N₇O₂
• 分子量: 293.329
• InChiKey: GTZZRTUEOHCPBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.56
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  109.97
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  N,N'-dicyclopentyl-1,2,4,5-tetrazine-3,6-diamine 在 硝酸 作用下， 以 水 为溶剂， 以90%的产率得到N,N'-dicyclopentyl-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