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The composition of transformation products of 2,4,6-trinitrobenzoic acid in the aqueous-phase hydrogenation over Pd/C catalysts
Authors:Valentin P Talsi  Olga B Belskaya  Vyacheslav L Yurpalov
Institution:Center of New Chemical Technologies of the Federal Research Center Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Omsk, Russia
Abstract:Due to a detailed analysis of NMR spectra of the reaction solutions with different composition obtained by the aqueous-phase catalytic (Pd/C) hydrogenation of 2,4,6-trinitrobenzoic acid, the intermediate compounds were identified and a more substantiated mechanism was proposed for the formation of the main reaction products—1,3,5-triaminobenzene and cyclohexane-1,3,5-trione trioxime. The condensation of the 1,3,5-triaminobenzene molecules produced by a complete hydrogenation of 2,4,6-trinitrobenzoic acid was shown to result in the formation of a paramagnetic heterocyclic compound.
Keywords:1H and 13C NMR spectroscopy  aqueous-phase reaction  catalytic hydrogenation  palladium catalyst  trinitrobenzoic acid
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