(15N)-hexamine | 67931-01-5

• 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: (15N)-hexamine
• 英文别名: 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
• CAS: 67931-01-5
• 化学式: C₆H₁₂N₄
• 分子量: 144.161
• InChiKey: VKYKSIONXSXAKP-HZKSPUCSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (15N)-hexamine 在 铵态硝酸铵-15N 、 硝酸 作用下， 以 乙酸酐 、 溶剂黄146 为溶剂， 生成 1,3,5,7-tetranitro-(1,3,5,7-15N4)1,3,5,7-tetrazocane
  参考文献：
  名称：

  高能材料的热分解。2.八氢-1,3,5,7-四硝基-1,3,5,7-四唑辛的冷凝相分解中的氘同位素效应和同位素加扰

  摘要：

  The products formed in the thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) have been traced by using mixtures of different isotopically labeled analogues of HMX. The isotopic analogues of HMX used in the experiments include H-2, C-13, (NO2)-N-15, N-15ring, and O-18. The fraction of isotopic scrambling and the extent of the deuterium kinetic isotope effect (DKIE) are reported for the different thermal decomposition products. Isotopic scrambling is not observed for the N-N bond in N2O and the C-H bonds in CH2O. Only one of the C-N bonds in N-methylformamide (NMFA) undergoes isotopic scrambling. The lack of complete isotopic scrambling of the N-NO bond in 1-nitroso-3,5,7-trinitro-1,3,5,7-tetrazocine (ONTNTA) is shown to imply that some HMX decomposition occurs in the lattice. The behavior of the DKIE in different mixtures of isotopic analogues of HMX suggests that water probably acts as a catalyst in the decomposition. The results demonstrate that decomposition of HMX in the condensed phase has several reaction branches.

  DOI：

  10.1021/j100168a025
• 作为产物：
  描述：

  聚合甲醛 在 15N-氨 作用下， 以 水 为溶剂， 生成 (15N)-hexamine
  参考文献：
  名称：

  六亚甲基四胺和3,7-二乙酰基-1,3,5,7-四氮杂双环[3.3.1]壬烷硝化机理的15 N研究

  摘要：

  报道了对六甲基四氢呋喃（1）及其某些衍生物进行硝化的机理研究，并将其与乙酰化反应进行了比较。使用[ 15 N 4 ]-和[ 14 N 4的混合物，与硝酸进行硝化反应质谱测定产物中的[-]-化合物和氮同位素的目的地。结果表明，在硝化（1）中得到3,7-二硝基-1,3,5,7-四氮杂双环[3.3.1]壬烷（DPT）发生了广泛的环裂解，得到了包含单个氨基氮片段的物质。但是将3,7-二乙酰基1,3,5,7-四氮杂双环（3.3.1）壬烷（DAPT）硝化为1,5-二乙酰基-3,7-二硝基-1,3,5,7-四氮杂环辛烷（DADN）涉及亚甲基桥的选择性裂解，报道了通过DPT的乙酰化合成DADN。

  DOI：

  10.1016/s0040-4020(01)86730-2

文献信息

• 15N Studies of the Mechanisms of Nitration of Hexamethylenetetramine and 3,7-Diacetyl-1,3,5,7-tetraazabicyclo[3.3.1]nonane
  作者：Michael R. Crampton、Michael Jones、John K. Scranage、Peter Golding

  DOI：10.1016/s0040-4020(01)86730-2

  日期：1988.1

  the nitration of 3,7-diacetyl-1,3,5,7-tetraazabicyclo(3.3.1]nonane (DAPT) to 1,5-diacetyl-3,7-dinitro-1,3,5,7-tetraazacyclooctane (DADN) involves selective cleavage of the methylene bridge. A synthesis of DADN by acetolysis of DPT is reported.

  报道了对六甲基四氢呋喃（1）及其某些衍生物进行硝化的机理研究，并将其与乙酰化反应进行了比较。使用[ 15 N 4 ]-和[ 14 N 4的混合物，与硝酸进行硝化反应质谱测定产物中的[-]-化合物和氮同位素的目的地。结果表明，在硝化（1）中得到3,7-二硝基-1,3,5,7-四氮杂双环[3.3.1]壬烷（DPT）发生了广泛的环裂解，得到了包含单个氨基氮片段的物质。但是将3,7-二乙酰基1,3,5,7-四氮杂双环（3.3.1）壬烷（DAPT）硝化为1,5-二乙酰基-3,7-二硝基-1,3,5,7-四氮杂环辛烷（DADN）涉及亚甲基桥的选择性裂解，报道了通过DPT的乙酰化合成DADN。
• BULUSU S.; AUTERA J.; AXENROD T., J. LABELLED COMPOUNDS AND RADIOPHARM., 1980, 17, NO 5, 707-710
  作者：BULUSU S.、 AUTERA J.、 AXENROD T.

  DOI：——

  日期：——
• CRAMPTON, MICHAEL R.;JONES, MICHAEL;SCRANAGE, JOHN K.;GOLDING, PETER, TETRAHEDRON, 44,(1988) N 6, 1679-1684
  作者：CRAMPTON, MICHAEL R.、JONES, MICHAEL、SCRANAGE, JOHN K.、GOLDING, PETER

  DOI：——

  日期：——
• Thermal decomposition of energetic materials. 2. Deuterium isotope effects and isotopic scrambling in condensed-phase decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
  作者：Richard Behrens、Suryanarayana Bulusu

  DOI：10.1021/j100168a025

  日期：1991.7

  The products formed in the thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) have been traced by using mixtures of different isotopically labeled analogues of HMX. The isotopic analogues of HMX used in the experiments include H-2, C-13, (NO2)-N-15, N-15ring, and O-18. The fraction of isotopic scrambling and the extent of the deuterium kinetic isotope effect (DKIE) are reported for the different thermal decomposition products. Isotopic scrambling is not observed for the N-N bond in N2O and the C-H bonds in CH2O. Only one of the C-N bonds in N-methylformamide (NMFA) undergoes isotopic scrambling. The lack of complete isotopic scrambling of the N-NO bond in 1-nitroso-3,5,7-trinitro-1,3,5,7-tetrazocine (ONTNTA) is shown to imply that some HMX decomposition occurs in the lattice. The behavior of the DKIE in different mixtures of isotopic analogues of HMX suggests that water probably acts as a catalyst in the decomposition. The results demonstrate that decomposition of HMX in the condensed phase has several reaction branches.
• Bryukhankov, I.V.; Serov, Yu. V.; Tselinskii, I.V., Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 2, p. 228 - 231
  作者：Bryukhankov, I.V.、Serov, Yu. V.、Tselinskii, I.V.、Proskuryakov, S.V.

  DOI：——

  日期：——