N,N-dimethyl-4-methoxy-6-(trinitromethyl)-1,3,5-triazin-2-amine | 733053-40-2

• 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,N-dimethyl-4-methoxy-6-(trinitromethyl)-1,3,5-triazin-2-amine
• 英文别名: 2-dimethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine；4-methoxy-N,N-dimethyl-6-(trinitromethyl)-1,3,5-triazin-2-amine
• CAS: 733053-40-2
• 化学式: C₇H₉N₇O₇
• 分子量: 303.191
• InChiKey: ASSHKGYNHJEFLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  189
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N,N-dimethyl-4-methoxy-6-(trinitromethyl)-1,3,5-triazin-2-amine 在 potassium iodide 、 溴 作用下， 以 甲醇 为溶剂， 生成 N,N-dimethyl-4-methoxy-6-(bromodinitromethyl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Mass spectrometric decomposition of 2-dimethylamino-4-methoxy-6-polynitromethyl-1,3,5-triazines

  摘要：

  Fragmentation of 6-fluoro(chloro, bromo)dinitromethyl-, 6-trinitromethyl-, 6-(1,1-dinitroethyl)-, and 6-(2-hydroxy-1,1-dinitroethyl)-2-dimethylamino-4-methoxy-1,3,5-triazines under electron impact was studied. The stability of the molecular ions and main fragmentation pathways are discussed.

  DOI：

  10.1134/s1070363207080221
• 作为产物：
  描述：

  甲醇 、 2-(dimethylamino)-4,6-bis(trinitromethyl)-1,3,5-triazine 在 potassium carbonate 作用下， 生成 N,N-dimethyl-4-methoxy-6-(trinitromethyl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Mass spectrometric decomposition of 2-dimethylamino-4-methoxy-6-polynitromethyl-1,3,5-triazines

  摘要：

  Fragmentation of 6-fluoro(chloro, bromo)dinitromethyl-, 6-trinitromethyl-, 6-(1,1-dinitroethyl)-, and 6-(2-hydroxy-1,1-dinitroethyl)-2-dimethylamino-4-methoxy-1,3,5-triazines under electron impact was studied. The stability of the molecular ions and main fragmentation pathways are discussed.

  DOI：

  10.1134/s1070363207080221

文献信息

• Condensed tetrazolo-1,3,5-triazines. 4. Synthesis of salts of 5-aminotetrazolo[1,5-a]-1,3,5-triazin-7-one
  作者：V. V. Bakharev、A. A. Ghidaspov、D. B. Krivolapov、E. V. Mironova、I. A. Litvinov

  DOI：10.1007/s10593-006-0203-2

  日期：2006.8
• Reactions of trinitromethyl-1,3,5-triazines with triphenylphosphine in the presence of hydrogen donors and a dipolarophile
  作者：V. V. Bakharev、A. A. Gidaspov、E. V. Peresedova、V. E. Parfenov

  DOI：10.1134/s1070428009030166

  日期：2009.3

  2-Dialkylamino-4-methoxy-6-trinitromethyl-1,3,5-triazines reacted with triphenylphosphine in toluene in the presence of primary aliphatic alcohols as proton donors to give the corresponding 6-[hydroxyimino (nitro)methyl)-1,3,5-triazines. Analogous reactions in the presence of prop-2-yn-1-ol at elevated temperature resulted in the formation of [3 + 2]-dipolar cycloaddition products, 3-(1,3,5-triazinyl)-5-hydroxymethylisoxazoles.