1,1′-[oxybis(methylene)]di(1H-tetrazole) | 90824-51-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,1′-[oxybis(methylene)]di(1H-tetrazole)
• 英文别名: 1,1'-[Oxybis(methylene)]di(1h-tetrazole)；1-(tetrazol-1-ylmethoxymethyl)tetrazole
• CAS: 90824-51-4
• 化学式: C₄H₆N₈O
• 分子量: 182.145
• InChiKey: UEACVXYPCRCMFY-UHFFFAOYSA-N

物化性质

• 沸点：
  411.2±55.0 °C(Predicted)
• 密度：
  1.89±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  四氮唑 、 二氯甲基醚 在 magnesium sulfate 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以40%的产率得到1,1′-[oxybis(methylene)]di(1H-tetrazole)
  参考文献：
  名称：

  Synthesis of polynuclear azoles linked by ether tethers

  摘要：

  Alkylation of NH-triazoles and tetrazoles and cycloaddition of organic and inorganic azides to propargyl ethers bearing a cyano group gave a number of polynuclear heterocyclic systems bridged by ether tethers. DOI: 10.1134/S1070428013010223

  DOI：

  10.1134/s1070428013010223

文献信息

• Synthesis of Bridged Tetrazoles with Promising Properties and Potential Applications by a One‐Step Finkelstein Reaction
  作者：Jasmin T. Lechner、Christian Riedelsheimer、Simon M. J. Endraß、Nina M. Gerold、Jennifer Heidrich、Burkhard Krumm、Jörg Stierstorfer、Thomas M. Klapötke

  DOI：10.1002/chem.202303021

  日期：2024.1.2

  Numerous nitramine bridged compounds which show promising combinations of properties have already been identified in the area of energetic materials. In this work, four new nitrazapropane bridged tetrazoles, as well as four new trinitrazaheptane tetrazoles and three oxapropane bridged tetrazoles were synthesized and fully characterized. These new compounds can all be synthesized by a simple, one‐step synthesis using Finkelstein conditions. All of these new energetic materials were characterized using NMR spectroscopy, single crystal X‐ray diffraction, vibrational analysis and elemental analysis. The thermal behaviour of these compounds was studied by differential thermal analysis (DTA) and partly by thermogravimetric analysis (TGA). The BAM standard method was used to determine the sensitivities towards impact (IS) and friction (FS). The enthalpies of formation were calculated at the CBS‐4M level, and the energetic performances were calculated using the EXPLO5 (V6.06.01) computer code. The properties of the new compounds were compared to each other as well as to the known energetic material RDX. Moreover, the iron(II) and copper(II) perchlorate complexes with 1,3‐bis‐1,1‐tetrazolylnitrazapropane as ligand were prepared and investigated.

  摘要 在高能材料领域已经发现了许多具有良好综合特性的硝胺桥化合物。在这项工作中，合成了四种新的硝基丙烷桥联四唑、四种新的三硝基庚烷四唑和三种氧代丙烷桥联四唑，并对其进行了全面表征。这些新化合物均可在芬克尔斯坦条件下通过简单的一步合成法合成。利用核磁共振光谱、单晶 X 射线衍射、振动分析和元素分析对所有这些新型高能材料进行了表征。对这些化合物的热性能研究采用了差热分析（DTA），部分采用了热重分析（TGA）。采用 BAM 标准方法确定了对冲击（IS）和摩擦（FS）的敏感性。形成焓在 CBS-4M 水平上进行了计算，能量性能则使用 EXPLO5（V6.06.01）计算机代码进行了计算。新化合物的特性与已知高能材料 RDX 进行了比较。此外，还制备并研究了以 1,3-bis-1,1-tetrazolylnitrazapropane 为配体的高氯酸盐铁（II）和铜（II）配合物。
• MAKSIKOVA, A. V.;SUXANOV, G. P.;VERESHCHAGIN, L. I.;GAREEV, G. A., IZV. VUZOV. XIMIYA I XIM. TEXNOL., 1984, 27, N 2, 172-177
  作者：MAKSIKOVA, A. V.、SUXANOV, G. P.、VERESHCHAGIN, L. I.、GAREEV, G. A.

  DOI：——

  日期：——