Synthesis and Properties\nof Thermostable Energetic\nBenzotriazines

In an effort to balance energy and molecular stability\neffectively,\nseveral energetic compounds (<b>3</b>–<b>6</b>)\nbased on benzotriazine were designed and synthesized. These structures\nwere comprehensively characterized using NMR, IR, and elemental analysis,\nwith compounds <b>3</b>, <b>5</b>, and <b>6</b> further\nconfirmed by single-crystal X-ray diffraction. Notably, 3-amino-5,7-dinitrobenzo[<i>e</i>][1,2,4]triazine 1-oxide (<b>5</b>), which features\na face-to-face crystal stacking arrangement, exhibits good detonation\nvelocity (<i>D</i><sub>v</sub> = 8050 m/s), a high thermal\ndecomposition temperature (<i>T</i><sub>d</sub> = 290 °C),\nand low sensitivities (impact sensitivity >40 J, friction sensitivity\n>360 N). The preparation of compound <b>5</b> was further\noptimized\nby using a commercially available flow microreactor system, achieving\nan improved yield of 62%. Overall, the comprehensive properties of\ncompound <b>5</b> make it a promising candidate for heat-resistant\nexplosive applications.