1,3,5,7-四乙酰基八氢-1,3,5,7-四氮杂环辛四烯 | 41378-98-7

• 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: 1,3,5,7-四乙酰基八氢-1,3,5,7-四氮杂环辛四烯
• 英文名称: 1,3,5,7-tetraacetyloctahydro-1,3,5,7-tetrazocine
• 英文别名: 1,3,5,7-tetra-acetyl-1,3,5,7-tetra-azacyclo-octane；1,3,5,7-tetraacetyl-octahydro-1,3,5,7-tetrazocine；octahydro-1,3,5,7-tetraacetyl-1,3,5,7-tetrazocine；1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane；1,3,5,7-tetracetyl-1,3,5,7-tetraazacyclooctane；TAT；1-(3,5,7-triacetyl-1,3,5,7-tetrazocan-1-yl)ethanone
• CAS: 41378-98-7
• 化学式: C₁₂H₂₀N₄O₄
• mdl: MFCD00713709
• 分子量: 284.315
• InChiKey: YRXAGMCNKRPUKD-UHFFFAOYSA-N

物化性质

• 熔点：
  158-161 °C
• 沸点：
  605.5±55.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  20
• 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：
  81.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1,3,5,7-四乙酰基八氢-1,3,5,7-四氮杂环辛四烯 在 四磷十氧化物 作用下， 反应 0.25h， 以95%的产率得到环四亚甲基四硝基胺
  参考文献：
  名称：

  使用RFNA / P2O5作为新型硝化系统进行HMX合成

  摘要：

  通过对1,3,5,7-四乙酰基1,3,5进行亚硝化，获得了一种新颖且高效的合成八氢1,3,5,7-四硝基-1,3,5,7四唑啉（HMX）的方法。在红色发烟硝酸（RFNA）和P 2 O 5存在下的7-四氮杂环辛烷（TAT）。已经研究了各种参数，例如温度，硝化剂的浓度，RFNA / P 2 O 5的时间和摩尔比，以开发最佳条件。该方法的优点是产率高，纯度高，后处理容易并且反应时间短。关键字：Octogen（八氢-1,3,5,7-四硝基-1,3,5,7-四唑啉），合成，P 2 O 5，硝化。

  DOI：

  10.13005/ojc/340169
• 作为产物：
  描述：

  乌洛托品 、 乙酸酐 以6%的产率得到
  参考文献：
  名称：

  AGADZHANYAN, TS. E.;MINASYAN, G. G., ARM. XIM. ZH., 1982, 35, N 5, 315-318

  摘要：

  DOI：

文献信息

• Process for the preparation of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane
  申请人：GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE ARMY

  公开号：EP0547735A1

  公开（公告）日：1993-06-23

  1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane is prepared by nitrolysis of 1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane with a solution of nitric acid and nitrogen pentoxide or phosphorous pentoxide. This process produces the highest yield of any process in existence as of this date.

  1,3,5,7-四硝基-1,3,5,7-四氮杂环辛烷是由 1,3,5,7-四乙酰基-1,3,5,7-四氮杂环辛烷与硝酸和五氧化二氮或五氧化二磷溶液进行硝基分解制备而成。这种工艺的产量是目前所有工艺中最高的。
• Process for the preparation of 1-n-acetyl-3,5,7-trinitro-cyclotetramethylenetetramine
  申请人：GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE ARMY

  公开号：EP0547736A1

  公开（公告）日：1993-06-23

  1-(n)-acetyl-3,5,7-trinitrocyclotetramethylenetetramine is prepared by nitrolysis of 1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane with a solution of nitric acid and nitrogen pentoxide or phosphorous pentoxide.

  1-(n)-乙酰基-3,5,7-三硝基环四亚甲基四胺是由 1,3,5,7-四乙酰基-1,3,5,7-四氮杂环辛烷与硝酸和五氧化二氮或五氧化二磷溶液进行硝基分解制备而成。
• ——
  作者：G. A. Lyushnina、A. Yu. Bryukhanov、M. Turkina、K. V. Malakhov、E. L. Golod

  DOI：10.1023/a:1012443003868

  日期：——

  Potassium amidosulfate reacts with formaldehyde at pH 7-12 to afford a mixture of dipotassium 4-hydroxy-1,3-diazabutane-1,3-disulfonate hydrate and tripotassium 6-hydroxy-1,3,5-triazahexane-1,3,5-trisulfonate HO(CH2NSO3K)(n) . H2O (n = 2, 3). The reaction of the same compounds at pH 1-3 gives diammonium 1,3,5,7-tetraazabicyclo[3.3.1]nonane-3,7-disulfonic acid sulfate dihydrate.
• Investigation of the Solubility of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triacetyl-hexahydro-s-triazine
  作者：Lei Wang、Zihibing Xu、Peng Wang、Lisheng Wang、Zhihui Lin、Zihui Meng

  DOI：10.1021/je301237t

  日期：2013.3.14

  Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (TAT) was produced by condensation of acetonitrile and trioxane as a low cost precursor for the production of 1,3,5,7-tetranitro-octahydro-1,3,5,7-tetrazocine (HMX). However, 1,3,5-triacetyl-hexahydro-s-triazine (TRAT) was also produced as a byproduct. To develop an efficient and economical method for the separation of TAT and TRAT, the solubilities of TAT and TRAT in ethyl acetate, methanol, acetonitrile and deionized water were investigated at temperatures between 298 K and 318 K. TAT was found to be relative insoluble in ethyl acetate with a maximum solubility of about 0.0295 mol/kg ethyl acetate at 318 K, which was an order of magnitude lower than that of TRAT (0.371 mol/kg ethyl acetate). TRAT was also relatively insoluble in water (0712 mol/kg water). Accordingly, a method for the separation of TAT and TRAT based on recrystallization in ethyl acetate and precipitation by deionized water was developed. TAT was recrystallized from ethyl acetate with a purity of 97.9 %, and TRAT was recovered from the ethyl acetate filtrate by addition of water with a purity of 98.9 %.
• JPH08253461A
  申请人：——

  公开号：JPH08253461A

  公开（公告）日：1996-10-01