Synthesis of N-Benzoyl-N’-(9,10-Dioxo-9,10-Dihydroanthacen-1-yl) Thioureas and Quantum-Chemical Analysis of the Reaction Passing
Interaction of an order of aminoanthraquinones with benzoylisothiocyanate resulting in the formation of new N-benzoyl-N’-(9,10-dioxo-9,10-dihydroanthacen-1-yl)-thioureas was investigated. Quantum-chemical calculations using Gaussian 03W and HyperChem 8 were carried out. On their basis nucleophilic addition of aminoanthraquinones to benzoylisothiocyanate (charge control) was confirmed. A probable mechanism of nucleophilic addition was suggested. Influence of ortho-substituents on the passing of the reaction was explained.