Catalytic Conversion of Caffeine into Molecules of Valuable Interest Via N‐Demethylation Reaction

Abstract

AbstractThis work aims to apply catalytic processes to promote the conversion of caffeine into valuable dimethylxanthines via N‐demethylation reaction. Thus, we seek to evaluate the products formed and propose the reactions involved and their mechanisms. Reaction conditions were evaluated including different concentrations of Fenton reagent and ascorbic acid to evaluate caffeine oxidation. Theobromine, paraxanthine, and theophylline formation was proven by HPLC‐DAD and mass spectrometry analysis evidencing the N‐demethylation reactions, via radicals, with about 1 % yield. These results open the way for new N‐demethylation reaction routes to be studied with applications for caffeine and other biomolecules in diverse areas such as biochemistry and medicinal chemistry.