Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties†,Journal of Materials Chemistry A

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Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties†
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2018-03-01 00:00:00 , DOI: 10.1039/c7ta11172j
Yongxing Tang _{1,

2,

3,

4} , Chunlin He _{1,

2,

3,

4} , Gregory H. Imler _{4,

5,

6} , Damon A. Parrish _{4,

5,

6} , Jean'ne M. Shreeve _{1,

2,

3,

4}

Affiliation

4,4′,5,5′-Tetranitro-2H,2′H-3,3′-bipyrazole (TNBP, 1) is an excellent precursor to new energetic derivatives (3 and 5–14). The monotrinitromethyl substituted compound (3) was obtained by alkylation with bromoacetone and subsequent nitration. Nitration of the aminated compound (4) with nitronium tetrafluoroborate (NO₂BF₄) in the presence of potassium acetate results in the monopotassium salt (5). Dianionic salts of 1 with potassium and nitrogen rich cations (6–14) were prepared by neutralization. These compounds were fully characterized using NMR and infrared spectra and elemental analyses as well with single crystal X-ray diffraction for 3, 5, 8 and 10. The detonation properties, determined from the calculated heats of formation and measured densities, show that some (3, 7 and 13) are superior to those of 1,3,5-trinitrotriazacyclohexane (RDX). In addition, given the high thermal stability (323 °C) and good detonation performance of 6, it could be a promising green primary explosive.

中文翻译：

4,4高能衍生物'，5,5'-四硝基2 ħ，2' ħ -3,3'- bipyrazole（TNBP）：合成，表征和有前途的性能†

4,4'，5,5'-四硝基2 ħ，2' ħ -3,3'- bipyrazole（TNBP，1）是一个很好的前体以新的高能衍生物（3和5-14）。通过用溴丙酮烷基化并随后硝化获得单三硝基甲基取代的化合物（3）。在乙酸钾的存在下，用四氟硼酸硝基铵（NO ₂ BF ₄）硝化胺化的化合物（4），得到单钾盐（5）。1的阳离子盐与富含钾和氮的阳离子（6–14）是通过中和制备的。这些化合物使用NMR和红外光谱和元素分析以及用单晶X射线衍射对于完全表征3，5，8和10。爆轰性能，从形成和测量的密度的计算加热来确定，表明一些（3，7和13）均优于1,3,5- trinitrotriazacyclohexane（RDX）的。此外，鉴于其高的热稳定性（323°C）和良好的6爆轰性能，它可能是有前途的绿色初级炸药。

更新日期：2018-03-01

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