Synthesis of differently substituted 1,2-dihydroqunioline derivatives with a new method and quantum chemical calculations

Heterocyclic structures are found in many vitamins, drugs, and natural compounds. Quinoline derivatives from heterocyclic compounds are used in many fields and have a wide variety of biological activities. Quinoline derivatives from heterocyclic compounds are used in many fields and have a wide variety of biological activities. Heterocyclic structures are found in many vitamins, drugs, and natural compounds. For this reason, there are various studies on the synthesis of these compounds in the literature. In this thesis, it is aimed to synthesize 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile and ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate derivatives within the scope of quantum chemical calculations. In the first stage of the thesis, some new quinoline derivatives we targeted were synthesized by using diethylmalonate and ethylsayanoacetate together with N-(2-aminobenzoyl) benzotriazole) compounds. Characterization of the synthesized compounds was performed with 1H-NMR and 13C-NMR spectroscopic analysis methods. In the second stage of this study, the 1H-NMR and 13C-NMR chemical shifts were theoretically obtained by making the quantum chemical calculations of the compounds we synthesized, calculations with the density functional theory (DFT/B3LYP/6-31G (d,p)) methods. In the last stage of the thesis, the correlation between experimental and theoretical results was examined.