Synthesis, spectroscopy and computational studies of selected hydroxyquinoline carboxylic acids and their selected fluoro-, thio-, and dithioanalogues

The faster and more efficient new synthetic methodologies of crystalline hydroxyquinoline carboxylic acids and their fluoro-, thio- and dithioanalogues were elaborated. The FTIR, multinuclear NMR, UV–Vis and single crystal X-ray characteristics of the series of quinoline carboxylic acids have been determined experimentally and rationalized on the basis of DFT calculation method with B3LYP functional.

► The structure of 8-hydroxy-2-methylquinoline-7-carboxylic acid was characterized by X-ray. ► We report new synthetic methodologies of hydroxyquinoline carboxylic acids. ► The fluoro, thio and dithioanalogues of quinoline carboxylic acids were synthesized. ► They were characterized by FTIR, multinuclear NMR and UV–Vis. ► The DFT calculations with B3LYP functional.