Novel Highly Energetic Pyrazoles: N‐Trinitromethyl‐Substituted Nitropyrazoles |
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| Authors: | Dr Igor L Dalinger Dr Irina A Vatsadze Dr Tatyana K Shkineva Dr Alexandr V Kormanov Dr Marina I Struchkova Dr Kyrill Yu Suponitsky Dr Anatoly A Bragin Dr Konstantin A Monogarov Dr Valery P Sinditskii Dr Aleksei B Sheremetev |
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| Affiliation: | 1. N.?D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation;2. A.?N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Science, Moscow, Russian Federation;3. N.?N. Semenov Institute of Chemical Physics, Russian Academy of Science, Moscow, Russian Federation;4. Mendeleev University of Chemical Technology, Moscow, Russian Federation |
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| Abstract: | A new family of energetic compounds, nitropyrazoles bearing a trinitromethyl moiety at the nitrogen atom of the heterocycle, was designed. The desirable high‐energy dense oxidizers 3,4‐dinitro‐ and 3,5‐dinitro‐1‐(trinitromethyl)pyrazoles were synthesized in good yields by destructive nitration of the corresponding 1‐acetonylpyrazoles. All of the prepared compounds were fully characterized by multinuclear NMR and IR spectroscopy, as well as by elemental analysis. Single‐crystal X‐ray diffraction studies show remarkably high density. Impact sensitivity tests and thermal stability measurements were also performed. All of the pyrazoles possess positive calculated heats of formation and exhibit promising energetic performance that is the range of 1,3,5‐trinitroperhydro‐1,3,5‐triazine and pentaerythritol tetranitrate. The new pyrazoles exhibit positive oxygen balance and are promising candidates for new environmentally benign energetic materials. |
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| Keywords: | energetic materials nitration nitrogen heterocycles trinitromethyl moiety X-ray diffraction |
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