2-[nitro(6-{[2-(nitroxy)ethyl]amino}-1,2,4,5-tetrazin-3-yl)amino]ethyl nitrate | 1588874-15-0

• 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: 2-[nitro(6-{[2-(nitroxy)ethyl]amino}-1,2,4,5-tetrazin-3-yl)amino]ethyl nitrate
• 英文别名: 2-[[6-[nitro(2-nitrooxyethyl)amino]-1,2,4,5-tetrazin-3-yl]amino]ethyl nitrate
• CAS: 1588874-15-0
• 化学式: C₆H₉N₉O₈
• 分子量: 335.193
• InChiKey: TWTBRARPALVHPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  223
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  N,N'-dinitro-N,N'-bis(2-nitroxyethyl)-1,2,4,5-tetrazine-3,6-diamine 在 水 作用下， 以 氘代二甲亚砜 为溶剂， 生成 2-[nitro(6-{[2-(nitroxy)ethyl]amino}-1,2,4,5-tetrazin-3-yl)amino]ethyl nitrate
  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