The Oxidation of p-Cymene to p-Isopropylbenzoic Acid

摘要

In order to study the oxidation of alkyl-aromatic hydrocarbons it was elected as prototype hydrocarbon p-cymene, which has two different alkyl groups at the benzenic nucleus. Its oxidation can be lead so that it is realized at either the methyl group or the isopropyl group. The research in this study followed the oxidation at the methyl group in order to obtain the p-isopropyl-benzoic acid. In the presence of the acetic acid (polar solvent) and the high concentrations of cobalt, acetate it is formed an unchained process of monoelectronic oxidation of the hydrocarbon with the metal. By the interaction of the hydrocarbon with the metal that is in a superior valence state, a cation-radical is formed. The quantum chemical calculations provide that the stabilization of the cation-radical through deprotonation is possible only at the hydrogen atom that belongs to the methyl group. In the present paper, it was followed: the influence of the flow of air, the influence of temperature, and the influence of the promoters.