hexahydro-1,3,5-trinitro-1,3,5-triazina-2-one | 115029-35-1

• 物质功能分类: 生物 - ELISA 试剂盒
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: hexahydro-1,3,5-trinitro-1,3,5-triazina-2-one
• 英文别名: 2-oxo-1,3,5-trinitro-1,3,5-triazacyclohexane；1,3,5-trinitro-1,3,5-triazacyclohexan-2-one；1,3,5-trinitrohexahydro-1,3,5-triazin-2-one；2,4,6-trinitro-2,4,6-triaza-cyclohexanone；1,3,5-Trinitro-1,3,5-triazinan-2-one
• CAS: 115029-35-1
• 化学式: C₃H₄N₆O₇
• 分子量: 236.101
• InChiKey: UBBZKFUIBVLJCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  164
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  hexahydro-1,3,5-trinitro-1,3,5-triazina-2-one 在 氢氧化钾 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 N,N'-dinitromethylenediamine dipotassium salt
  参考文献：
  名称：

  环硝胺的碱性分解

  摘要：

  用氢氧化钾处理1,3,5-三硝基-1,3,5-三氮杂环己烷和1,3,5,7-四硝基-1,3,5,7-四氮杂环辛烷得到甲基化二乙胺的二钾盐。

  DOI：

  10.1007/s11176-005-0181-6
• 作为产物：
  描述：

  N,5-二硝基-1,4,5,6-四氢-1,3,5-三嗪-2-胺 在 硝酸 、 乙酸酐 作用下， 以 水 为溶剂， 反应 1.0h， 以53%的产率得到hexahydro-1,3,5-trinitro-1,3,5-triazina-2-one
  参考文献：
  名称：

  2-nitroguanidine derivatives: X. Synthesis and nitration of 4-nitriminotetrahydro-1,3,5-oxadiazine and 2-nitriminohexahydro-1,3,5-triazine and their substituted derivatives

  摘要：

  A new synthetic procedure was developed to obtain 1-hydroxymethyl-2- nitroguanidine from 2-nitroguanidine and formaldehyde without catalyst. Reactions of 2-nitroguanidine and its 1-methyl- and 1-phenylsubstituted derivatives with formaldehyde and urotropin under acid catalysis resulted in 4-nitriminotetrahydro1,3,5-oxadiazine and 2-nitriminohexahydro-1,3,5-triazine and their methyl- and phenyl-substituted derivatives, whose nitration with concn. HNO3 in the presence of acetic anhydride and concn. H2SO4 depending on the temperature conditions led to the formation of 4-nitrimino-3,5-dinitrotetrahydro-1,3,5-oxadiazine, 3-methyl-4-nitrimino5-nitrotetrahydro-1,3,5-oxadiazine, 2-nitrimino-5-nitrohexahydro-1,3,5-triazine, and 1,3,5-trinitro-hexahydro-1,3,5-triazine-2-one.

  DOI：

  10.1134/s1070428007100041

文献信息

• Effect of the structure of cyclic N-nitramines on the rate and mechanism of their thermolysis
  作者：R. S. Stepanov、L. A. Kruglyakova、A. M. Astakhov

  DOI：10.1134/s1070363207070237

  日期：2007.7

  Manometry together IR spectroscopy, mass spectrometry, and chromatography were used to study thermolysis of six-membered cyclic N-nitramines containing one, two, or three nitramine fragments, as well as oxo, gem-dinitro, azide, nitroimino, amino, and tetrazolyl functions. An effect of the conformation and functional groups on the rate, mechanism, and activation parameters of the limiting stage of themolysis was revealed.
• ——
  作者：S. G. Il'yasov、A. A. Lobanova、N. I. Popov、R. R. Sataev

  DOI：10.1023/a:1022555327527

  日期：——

  Reaction of N,N'-dinitrourea with formaldehyde, depending on the conditions, leads to formation of various hydroxymethyl derivatives of N-nitroamines and products of their further transformations.
• Use of potassium sulfamate in the synthesis of heterocyclic nitramines
  作者：A. S. Ermakov、S. A. Serkov、V. A. Tartakovskii、T. S. Novikova、L. I. Khmel'nitskii

  DOI：10.1007/bf01165039

  日期：1994.8
• Wei Yunyang, Lue Chunxu, Lu Ming, Wang Yu, Li Zhiping, Yingyong huaxue (Chin. J. Appl. Chem), 11 (1994) N 5, S 104-106
  作者：Wei Yunyang, Lue Chunxu, Lu Ming, Wang Yu, Li Zhiping

  DOI：——

  日期：——