2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷-1,9-二基二乙酸酯 | 6537-83-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷-1,9-二基二乙酸酯
• 英文名称: 1,9-Diacetoxy-2,4,6,8-tetranitro-2,4,6,8-tetraaza-nonan
• 英文别名: 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate；[[[[acetyloxymethyl(nitro)amino]methyl-nitroamino]methyl-nitroamino]methyl-nitroamino]methyl acetate
• CAS: 6537-83-3
• 化学式: C₉H₁₆N₈O₁₂
• 分子量: 428.272
• InChiKey: LDBSGTRAQJIAIE-UHFFFAOYSA-N

物化性质

• 熔点：
  185 °C
• 沸点：
  807.0±65.0 °C(Predicted)
• 密度：
  1.621±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  249
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷-1,9-二基二乙酸酯 在 硝酸 作用下， 生成 2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷-1,9-二基二硝酸酯
  参考文献：
  名称：

  McKay; Richmond; Wright, Canadian Journal of Research, Section B: Chemical Sciences, 1949, vol. 27, p. 466

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷-1,9-二基二硝酸酯 、 sodium acetate 在 溶剂黄146 作用下， 生成 2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷-1,9-二基二乙酸酯
  参考文献：
  名称：

  McKay; Richmond; Wright, Canadian Journal of Research, Section B: Chemical Sciences, 1949, vol. 27, p. 466

  摘要：

  DOI：

文献信息

• The Nitrosation of Hexamethylenetetramine and Related Compounds¹
  作者：W. E. Bachmann、N. C. Deno

  DOI：10.1021/ja01150a102

  日期：1951.6

  pentamethylenetetramine. nitrosyl chloride and acetic anhydride on known compounds derived from hexamethylenetetramine. In connection with studies on the nitration of hexamethylenetetramine, the analogous nitrosation was investigated. From the reaction between hexamethylenetetramine and nitrous acid two compounds have been obtained by previous investigators2 : 1,3,5-trinitroso-l,3,5-triazacyclohexane (I) (trinitr

  的解决方案。五亚甲基四胺。亚硝酰氯和乙酸酐对衍生自六亚甲基四胺的已知化合物。结合六亚甲基四胺的硝化研究，研究了类似的亚硝化。从六亚甲基四胺和亚硝酸之间的反应中，以前的研究人员已经获得了两种化合物2：1,3,5-三亚硝基-l,3,5-三氮杂环己烷（I）（三亚硝基三亚甲基三胺）和1,5亚甲基-3,7-二亚硝基-1 ,3,5,7 - 四氮杂环辛烷 (11)（二亚硝基五亚甲基四胺）。小灵通
• Process for producing N-chloromethyl nitramines
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US05243075A1

  公开（公告）日：1993-09-07

  1-acetoxy-2,4,6-trinitro-2,4,6-triazaheptane, 1,7-diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane, or 1,9-diacetoxy-2,4,6,8-tetranitro-2,4,6,8-tetraazanonane is reacted with a mixture of concentrated hydrochloric acid and trifluoroacetic 2,4,6-triazaheptane, 1,7-dichloro-2,4,6-trinitro-2,4,6-triazaheptane, or 1,7-dichloro-2,4,6,8-tetranitro-2,4,6,8-tetraazanonane.

  1-乙酰氧基-2,4,6-三硝基-2,4,6-三氮杂庚烷，1,7-二乙酰氧基-2,4,6-三硝基-2,4,6-三氮杂庚烷或1,9-二乙酰氧基-2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷与浓盐酸和三氟乙酸混合反应，生成1,7-二氯-2,4,6-三硝基-2,4,6-三氮杂庚烷，1,7-二氯-2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷。
• STUDIES OF RDX AND RELATED COMPOUNDS: XI. THE CONVERSION OF PHX TO AcAn
  作者：R. A. Marcus、C. A. Winkler

  DOI：10.1139/v53-083

  日期：1953.6.1

  The formation of AcAn from PHX, nitric acid, and acetic anhydride has been investigated at various temperatures. The effects of added acetic acid and added salts have been determined. While the reaction is first order with respect to PHX, it is of an order 2.6 with respect to nitric acid. The reaction rate is significantly decreased by small concentrations of sodium nitrate. The reaction is also characterized

  已经研究了在不同温度下由 PHX、硝酸和乙酸酐形成 AcAn。已确定添加乙酸和添加盐的影响。虽然该反应对于 PHX 是一级反应，但它对于硝酸是 2.6 级反应。小浓度的硝酸钠会显着降低反应速率。该反应的特征还在于二级盐效应和约 2 kcal 的低表观活化能。摩尔^(-1)。已经提出了一种与实验数据一致的定性机制，并且在某种程度上是定量的。据推测，PHX 的转化涉及 PHX 和硝酸之间的速率控制离子反应，然后是酸性中间体快速乙酰化为 AcAn。
• Process for producing hydroxy terminated nitramines
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US05250730A1

  公开（公告）日：1993-10-05

  A process by which 1,7-dihydroxy-2,4,6-trinitro-2,4,6-triazaheptane or 1,9-dihydroxy-2,4,6,8-tetranitro-2,4,6,8-tetraazanonane is produced by hydrolyzing 1,7-diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane or 1,9-diacetoxy-2,4,6,8-tetranitro-2,4,6,8-tetraazanonane with concentrated aqeuous hydrochloric acid comprising from 28 to 32 weight percent of hydrogen chloride with the remainder being water.

  通过用浓度为28%至32%的氢氯酸水溶液水解1,7-二乙酰氧基-2,4,6-三硝基-2,4,6-三氮杂庚烷或1,9-二乙酰氧基-2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷，生产1,7-二羟基-2,4,6-三硝基-2,4,6-三氮杂庚烷或1,9-二羟基-2,4,6,8-四硝基-2,4,6,8-四氮杂壬烷的过程。
• Efficient synthesis of <i>N</i>-(chloromethyl)nitramines <i>via</i> TiCl₄-catalyzed chlorodeacetoxylation
  作者：Pavel S. Gribov、Kyrill Yu. Suponitsky、Aleksei B. Sheremetev

  DOI：10.1039/d2nj03521a

  日期：——

  nitrogen content, density and enthalpy of formation. Herein, a simple, mild and general procedure has been developed for the preparation of diverse N-(chloromethyl)nitramine building blocks from readily available N-(acetoxymethyl)nitramines via a TiCl4-catalyzed chlorodeacetoxylation with SOCl2. This new protocol allows the conversion of both mono- and di(acetoxymethyl) precursors that contain one to

  硝基氨基是含能化合物中的一个重要基序，对氧和氮含量、密度和形成焓有积极影响。在此，开发了一种简单、温和且通用的方法，用于通过TiCl 4催化的 SOCl 2氯化脱乙酰氧基化从容易获得的N- (乙酰氧基甲基)硝胺制备各种N- (氯甲基)硝胺结构单元。这种新的协议允许将含有一到四个硝基氨基的单和二（乙酰氧基甲基）前体转化为功能化的氯甲基化合物，产率很高。