Journal
JOURNAL OF ORGANIC CHEMISTRY
Volume 87, Issue 6, Pages 4226-4231Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.joc.1c03065
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Funding
- National Natural Science Foundation of China [22175093, 21905135]
- Natural Science Foundation of Jiangsu Province [BK20190458]
- Large Equipment Open Funding of Nanjing University of Science and Technology
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In this study, a mild and efficient method for synthesizing 5-nitro-1,2,4-triazol-3-one (TO) was reported. The synthesized compounds were fully characterized and one of them (Compound 2) showed promising properties as a high-performance insensitive energetic material.
5-Nitro-1,2,4-triazol-3-one, a nitro-functionalized 1,2,4-triazol-3-one (TO) derivative, shows excellent energetic properties and promising application potential. However, the use of the TO skeleton as an energetic material is still largely underexplored both theoretically and practically. We report here a mild and efficient method for obtaining the TO skeleton via a reaction of aminocarbohydrazide with BrCN. Two energetic compounds (2 and 5) were synthesized and fully characterized by N-15 nuclear magnetic resonance, two-dimensional H-1-N-15 heteronuclear multiple-bond correlation, and single-crystal X-ray diffraction. The reaction mechanism was also studied with the aid of quantum calculations. Compound 2 shows promising properties as a high-performance insensitive energetic material.
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