4,5-Dicyano-1,2,3-Triazole—A Promising Precursor for a New Family of Energetic Compounds and Its Nitrogen-Rich Derivatives: Synthesis and Crystal Structures |
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| Authors: | Wenli Cao Jian Qin Jianguo Zhang Valery P. Sinditskii |
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| Affiliation: | 1.State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China; (W.C.); (J.Q.);2.China North Chemical Research Academy Group Co., LTD., Beijing 100089, China;3.Chemical Engineering Department, Mendeleev University of Chemical Technology, 9 Miusskaya Sq., 125047 Moscow, Russia; |
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| Abstract: | The nitrogen-rich compounds and intermediates with structure of monocyclic, bicyclic, and fused rings based on 1,2,3-triazole were synthesized and prepared by using a promising precursor named 4,5-dicyano-1,2,3-triazole, which was obtained by the cyclization reaction of diaminomaleonitrile. Their structure and configurational integrity were assessed by Fourier transform-infrared spectroscopy (FT-IR), mass spectrometry (MS), and elemental analysis (EA). Additionally, fourteen compounds were further confirmed by X-ray single crystal diffraction. Meanwhile, the physical properties of four selected compounds (3·H2O, 6·H2O, 10·H2O, and 16) including thermal stability, detonation parameters, and sensitivity were also estimated. All these compounds could be considered to construct more abundant 1,2,3-triazole-based neutral energetic molecules, salts, and complex compounds, which need to continue study in the future in the field of energetic materials. |
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| Keywords: | 1,2,3-triazole 4,5-dicyano-1,2,3-triazole Hofmann rearrangement X-ray single crystal diffraction high-nitrogen content |
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