Synthesis, FT-IR Spectra and DFT calculations of indazolo phthalazinetrione derivatives

Heterocyclic chemistry is one of the most important fields in organic chemistry. Heterocyclescontaining the phthalazine ring are main object in synthetic and medicinal chemistry becausethey have many biologically actives. Multicomponent reactions of dimedone, an aldehyde, andN-nucleophilic heterocycles have recently attracted interest as different condensation productscan be obtained depending on the specific conditions and structure of the building blocks.Wereported an efficient method for the synthesis of indazolo phthalazinetrione derivatives by a fourcomponentcondensation reaction of dimedone, aromatic aldehydes and hydrazine monohydrateand 3-nitrophthalic anhydride in the presence of a catalytic amount of Zr(NO3)2. 2H2O in ethanolin conditions of reflux. Sterically congested 2,2-disubstituted indane-1,3-dione derivatives havebeen synthesized and characterized by 1HNMR, 13CNMR and FT-IR and elemental analysis. TheB3LYP/HF calculations for computation of FT-IR spectra have been carried out for the titlecompounds. Predicted vibrational frequencies have been assigned and compared withexperimental FT-IR spectra and they are supported each other.

Keywords:

Heterocyclic chemistry , DFT , HF , FT-IR spectra