N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四嗪
• 英文名称: N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
• 英文别名: N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetraazin-3-amine；N-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
• 化学式: C₁₁H₁₇N₇
• 分子量: 247.303
• InChiKey: OGUKPYCANCYATN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine 在 硫酸 、 水 作用下， 反应 0.5h， 以67%的产率得到6-(3,5-二甲基吡唑-1-基)-1,2,4,5-四嗪-3-胺
  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：

  3,6-二(3,5-二甲基-1H-吡唑-1-基)-1,2,4,5-四嗪 、 叔丁胺 以 乙腈 为溶剂， 生成 N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
  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

文献信息

• Latosh; Rusinov; Ganebnykh, Russian Journal of Organic Chemistry, 1999, vol. 35, # 9, p. 1363 - 1371
  作者：Latosh、Rusinov、Ganebnykh、Chupakhin

  DOI：——

  日期：——
• Synthesis and Properties of Alkylnitramino-1,2,4,5-Tetrazines
  作者：G. F. Rudakov、T. V. Ustinova、I. B. Kozlov、V. F. Zhilin

  DOI：10.1007/s10593-014-1448-9

  日期：2014.4

  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.