Study On The Synthesis Of Energetic Materials Based On Glycoluril

Energetic materials are chemical substances or mixture of substances, which undergo very rapid chemical transformations under special conditions. They have palyed an important role in the military and industry, and have made irreplaceable contributions to national economy. Nowdays, high energetic density materials with excellent performance have become a common target for experts all over the world.The theoretical performances of four novel energetic compounds(I~IV) were calculated according to quantum chemistry theory. The results showd that the density of HHTDD(IV) was 2.04g/cm3,VOD was 9794m/s, and P was 45.7GPa, the density of compounds I~III ranged from 1.921~1.99 g/cm3, VOD ranged from 8877~9409m/s, and P ranged from 36.3~41.6GPa. The density of TDCD was 1.99g/cm3,VOD was 8410m/s, and P was 32.8GPa. All these compounds showed outstanding performances, and worthed of research.In this paper, DFTHP was synthesized by using ethanedial and formamide as the starting materials, then octahydro-diimidazo[4,5-b;4',5'-e]pyrazine-2,6-dione was prepared by condensation reaction. Tetranitro compounds(I and II)were obtained by direct nitration of octahydro-diimidazo[4,5-b;4',5'-e]pyrazine-2,6-dione. It was a pity that we failed to prepare HHTDD by nitration of tetranitro compounds.As an nirourea energetic compound, TDCD showed excellent performance. In this paper, imidazolidine-2,4-dione was prepared by using glycine and urea as the starting materials, the imidazolidine-2,4-dione underwent reduction reaction,N-acetylation reaction, [2+2]cycloaddition reaction to prepare 1,3,4,6-Tetraacetyl-octahydro-cyclobuta[1,2-d;3,4-d'] diimidazole-2,5-dione. The [2+2]cycloaddition reaction was the main barrier.Cucurbiturils were important precursor compounds of nergetic materials. The density of energetic materials could be obviously increased by the introduction of azide group. In the designed route, urea and formaldehyde were chosen as starting materials,and then underwent condensation reaction, oxidation reaction, halogenation reaction and azide reaction to prepare azidocucurbiturils. The oxidation reaction conditions had been optimized, and halogenation reaction had been deeply researched.