Litcius/Paper detail

<i>N</i> -Methylene-C Linked 4-Hydroxy-3,5-dinitropyrazole and <i>N</i> -Hydroxytetrazole: Insensitive Energetic Materials Enlivened by <i>N</i> -Hydroxyl Group

Prachi Bhatia, Priyanka Das, Amit Bijlwan, Dheeraj Kumar

2025Organic Letters12 citationsDOI

Abstract

Optimization of oxygen balance without jeopardizing stability is one of the key objectives in synthesizing nitrogen-rich high-performing energetic materials. In this regard, choosing scaffolds with good nitrogen and oxygen content, along with the possibility of stabilizing interactions, becomes crucial. In this work, powerful insensitive energetic materials were synthesized by connecting a 4-hydroxy-3,5-dinitropyrazole (HODNP) moiety with N -hydroxytetrazole via N -methylene-C bridge. Compound 5 showed the rare ability to form selective monocationic ( 6 – 9 ) and dicationic ( 10 – 13 ) energetic salts, providing options for fine-tuning energy and stability properties. These N -hydroxytetrazole-based compounds exhibit overall better energy and stability properties than the analogous tetrazole-based compounds. Energetic salts 7, 8, 11, and 12 exhibited excellent detonation performance, comparable or superior to benchmark explosive RDX.

Topics & Concepts

ChemistryDetonationExplosive materialMoietyEnergetic materialOxygen balanceOxygenNitrogenGroup (periodic table)Chemical stabilityCombinatorial chemistryStability (learning theory)Oxygen atomThermal stabilityChemical engineeringLow energyHigh energyMetabolic stabilityHeat stabilityComputational chemistryNanotechnologyFunctional groupEnergy balanceAmmoniaOrganic chemistryEnergetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure