Reductive Debenzylation of Hexabenzylhexaazaisowurtzitane using Multi-walled Carbon Nanotube-supported Palladium Catalysts: an Optimization Approach

This study focuses on the optimization of parameters affecting the reductive debenzylation of hexabenzylhexaazaisowurtzitane using multiwalled carbon nanotube-supported palladium catalysts. Initially the influence of functionalized carbon nanotubes, including OH and COOH groups, were compared with basic multi-walled carbon nanotubes, and their impact on the reaction yield was evaluated. Among these catalyst supports, hydroxylated multi-walled carbon nanotubes showed superior efficiency for producing tetraacetyldibenzylhexaazaisowurtzitane from hexabenzylhexaazaisowurtzitane. The effect of catalyst preparation factors on the reaction yield were screened by using a 25-2 fractional factorial design. Parameters, including percent palladium, adsorption time, pH and adsorption temperature, were optimized by applying a central composite design. The optimum values of these factors were: 12.97% Pd, adsorption time 1.81 h, pH 9.61 and adsorption temperature 42.78 °C. A value of 76% was obtained for the reaction yield under optimum conditions.