Energetic mono and dibasic 5-dinitromethyltetrazolates: synthesis, properties, and particle processing

1,4-Dinitro-1H-imidazoles

“…48 The products served as starting materials in syntheses of adenines. Two other compounds, the (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14)(15) N)adenine and (1-3 H)ribose, were also prepared. The compounds were then enzymatically coupled to isotopically modified ribosyl groups to give respectively substituted adenosines (31, Figure 5).…”

“…Habraken assumed the reaction proceeded in two steps. Firstly, a nucleophile comes into the ortho position to the leaving group and cleaves the N-NO 2 bond, what resulted in the initial formation of a 3H-azole. Then the ultimate product is formed in a rapid 1,5-hydride shift of the hydrogen atom from C5 to N1.…”

“…N)imidazol-1′-yl]acetic acid was obtained. The latter acid with bromine and phosphorus trichloride in anhydrous benzene formed a product that was subjected to hydrolysis to afford 2-methyl-4(5)-nitro-1H- (1)(2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14)(15) N)imidazole in 40% yield. Starting compound 2 was also treated with ( 15 N)ammonia to produce a mixture of isotopically modified and natural nitrous oxide.…”

“…[1][2][3] They are also very valuable to the pharmaceutical chemistry as nitrocontaining synthetic intermediates and drugs. 1,[4][5][6] The potential use of dinitroimidazoles in preparations of new classes of high explosives and antimicrobial drugs has recently focused chemists' interests on 1,4-dinitro-1H-imidazole as the most convenient starting compound in the preparation of several useful products.…”

Structure, Thermal Behaviour, and Energetic Properties of 4-Amino-1,2,4-triazole Dinitroguanidine Salt

“…The energies of the parent ions in the isodesmic reactions were calculated from protonation reactions (Scheme 3; enthalpy of formation of H þ is 1530 kJ mol À1 ). [37,38] The enthalpy of the isodesmic reaction (DH 0 f ) is obtained by combining the MP2/6-311þþG** energy difference for the reaction, the zero-point energies (B3-LYP/6-31þG**), and other thermal factors(B3-LYP/6-31þG**). Thus, the enthalpy of formation of the cations, anions, and the salt being investigated can be extracted readily according to Further, the impact sensitivity of an energetic material is essential, because it is an important index to guarantee safety for storage or use.…”