N,5-二硝基-1,4,5,6-四氢-1,3,5-三嗪-2-胺 | 130400-13-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,5-二硝基-1,4,5,6-四氢-1,3,5-三嗪-2-胺
• 英文名称: 2-nitroimino-5-nitro-hexahydro-1,3,5-triazine
• 英文别名: 2-nitrimino-5-nitrohexahydro-1,3,5-triazine；2-nitroimino-5-nitrohexahydro-1,3,5-triazine；4-nitrimino-1-nitrohexahydro-1,3,5-triazine；2-Nitroimino-5-nitrohexahydro-1,3,5-triazine；N-(5-nitro-1,3,5-triazinan-2-ylidene)nitramide
• CAS: 130400-13-4
• 化学式: C₃H₆N₆O₄
• 分子量: 190.118
• InChiKey: ZZTAIADKUHXVCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2-nitroimino-5-(iso-propyl)hexahydro-1,3,5-triazine 在 硝酸 、 氯化铵 作用下， 反应 3.0h， 以51%的产率得到N,5-二硝基-1,4,5,6-四氢-1,3,5-三嗪-2-胺
  参考文献：
  名称：

  Cliff, Matthew D., Heterocycles, 1998, vol. 48, # 4, p. 657 - 669

  摘要：

  DOI：

文献信息

• Synthesis of 2-nitroimino-5-nitrohexahydro-1,3,5-triazine
  申请人：Miller Cory G.

  公开号：US20100326575A1

  公开（公告）日：2010-12-30

  A method of forming 2-nitroimino-5-nitrohexahydro-1,3,5-triazine is presented. The method contains the steps of mixing nitroguanidine, formaldehyde, tert-butyl amine, and water to form an aqueous-based mixture containing an intermediate reaction product; separating the intermediate reaction product from the aqueous-based mixture by filtering out the suspended intermediate reaction product; and mixing the intermediate reaction product within a multi-acid solution containing sulfuric acid and nitric acid. Ammonium chloride is then added, thereby forming 2-nitroimino-5-nitrohexahydro-1,3,5-triazine. A gas generating system 200 containing a gas generant formed in accordance with the present invention is also contemplated.

  提出了一种形成2-硝基亚硝基-5-硝基六氢-1,3,5-三嗪的方法。该方法包括以下步骤：混合硝基胍、甲醛、叔丁胺和水，形成含有中间反应产物的水基混合物；通过过滤悬浮的中间反应产物，将中间反应产物从水基混合物中分离出来；将中间反应产物与含有硫酸和硝酸的多酸溶液混合。然后加入氯化铵，从而形成2-硝基亚硝基-5-硝基六氢-1,3,5-三嗪。还考虑了包含根据本发明形成的气体发生剂的气体发生系统200。
• High energy insensitive cyclic nitramines
  申请人：Aerojet-General Corporation

  公开号：US04937340A1

  公开（公告）日：1990-06-26

  Cyclic nitramines of the formula ##STR1## in which R.sup.1, R.sup.2 and R.sup.3 are independently selected from the group consisting of H, NO and NO.sub.2, and acid salts of the compound in which R.sup.1, R.sup.2 and R.sup.3 are each H, are disclosed. These compounds are useful as components in energetic compositions, including rocket and gun propellants and explosives, and are of particular interest due to their combination of high energy output and insensitivity. Compounds in which R.sup.3 is H or NO are further useful as intermediates in the preparation of those in which R.sup.3 is NO.sub.2. Also disclosed is a method for producing such compounds involving the reaction between hexamethylenetetramine and nitroguanidine.

  公开了式为##STR1##的环状硝基胺化合物，其中R.sup.1、R.sup.2和R.sup.3各自独立地选择自H、NO和NO.sub.2的组，以及化合物的酸盐，其中R.sup.1、R.sup.2和R.sup.3均为H。这些化合物可用作能量组分，包括火箭和枪推进剂以及炸药，并且由于其高能量输出和不敏感性的组合而具有特殊的兴趣。其中R.sup.3为H或NO的化合物还可用作制备R.sup.3为NO.sub.2的中间体。还公开了一种制备这些化合物的方法，涉及六亚甲基四胺和硝基鸟嘌呤之间的反应。
• 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
• Sulfamic acid andN-alkylsulfamates in the synthesis of nitro derivatives of guanidine and aminofurazan
  作者：A. S. Ermakov、S. A. Serkov、V. A. Tartakovskii、T. S. Novikova、L. I. Khmel'nitskii

  DOI：10.1007/bf00698506

  日期：1995.4

  The N-nitro derivatives of the products of the condensation of formaldehyde with sulfamic acid derivatives and guanidine, nitroguanidine, 3,4-diaminofurazan, and 3-amino-4-methylfurazan have been synthesized.
• HUANG, DER-SHING;RINDONE, RENATO R.
  作者：HUANG, DER-SHING、RINDONE, RENATO R.

  DOI：——

  日期：——