Modelling of the reaction of N-oxidation of 2-methylpyridine using hydrogen peroxide and a complex metal catalyst

To develop a general model to describe the N-oxidation of the family of pyridines, the homogeneous catalytic N-oxidation of 2-methylpyridine has been studied. The reaction was performed in a semibatch reactor, dosing with hydrogen peroxide. The N-oxidation is accompanied by the competitive decomposition of hydrogen peroxide. The system was modeled taking into consideration the fast reversible reactions that result in intermediates, which react further to form the final products. Calorimetric information was used for the calculation of the concentration of reactants. These were subsequently used for the calculation of the reaction rates. It was found that each reaction proceeds through more than one path. The model parameters were evaluated. In spite of the complexity of the reaction system and the generalised expressions used the model can reproduce experimental data efficiently.