Process Optimization, Product Profile Mapping, and Intensification of 1,1-Diamino-2,2-dinitroethylene

Abstract

Industrialization of a chemical process needs an understanding of process chemistry, optimal process envelope, and the best choice of operation. 1,1-Diamino-2,2-dinitroethylene (FOX-7) is a new generation, and the highly insensitive compound finds application in high-energy formulations as well as preparation of novel high-energy compounds. The present study highlights efforts made for establishing a continuous process for FOX-7. The intermediates of nitration of 2-methylpyrimidine-4, 6-dione were isolated and characterized by spectroscopic tools. Reaction kinetics was also derived for the formation of intermediates. Product profiles of the reaction were evaluated on deriving expressions for various reactors. The simultaneous effect of heat and reaction was evaluated in a tubular reactor to obtain the runaway reaction condition. The effective reactor scheme was evaluated, designed, and experimented. Process intensification was carried out in a continuous set up comprising various contact patterns. The present study delivered a safe and productive method for FOX-7 processing

Continuous-flow and safe synthesis of 3-amino-4-amidoximinofurazan

“…As is well known, when performing exothermic reactions in a tubular reactor, the temperatures along the tubular reactor are not identical. 15 As the value of Δ T ad for the exothermic reactions increases, the maximum temperature in the tubular reactor increases. With respect to the neutralization and oximation reactions, if the amount of water added is small, the maximum temperature in the tubular reactor certainly will increase, which further triggers the decomposition of the thermally unstable hydroxylamine in the tubular reactor.…”