Modelling of the Effect of Concentrated Nitration Conditions on the Efficiency of the Production of 3,7-Dinitro-1,3,5,7-tetraazabicyclo[3,3,1]nonane (DPT)

Abstract

3,7-Dinitro-1, 3,5,7-tetraazabicyclo[3,3,1]nonane (DPT) is one of the most important intermediates in the synthesis of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). A suitably modified Bachmann process, nitrolysis of solid hexamine in the presence of ammonium nitrate-nitric acid and acetic anhydride on a laboratory scale, is introduced to increase the efficiency, production capacity and purity of the DPT produced. Various quantitative and qualitative analytical methods were used for the identification and quality control of the product. A central composite design (CCD) of experiments was used to optimize the production process, increasing the production capacity, reducing the amount of acetic acid as the reaction medium to a suitable limit, and examining the effects of the main factors impacting on the efficiency of the nitration, e.g. the volume of ammonium nitrate-nitric acid solution, nitration temperature reactor addition time and volume of acetic anhydride. The overall results indicated that DPT was obtained with an efficiency of 64.58% and a production capacity of 20.77 (100 g·mL ).