Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potentional anticonvulsant agents

Novel succinimide derivatives were synthesized from 3-methyl-3-phenylsuccinic acid and substituted anilines under solvent-free conditions using the microwave irradiation. All obtained compounds were characterized by the UV, FT-IR, 1H and 13? NMR spectroscopy as well as by elemental analysis. The inf...

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Bibliographic Details
Published in:Hemijska industrija 2019, Vol.73 (2), p.125-137
Main Authors: Petkovic-Cvetkovic, Jelena, Bozic, Bojan, Banjac, Nebojsa, Ladjarevic, Jelena, Vitnik, Vesna, Vitnik, Zeljko, Valentic, Natasa, Uscumlic, Gordana
Format: Article
Language:English
Subjects:
Anticonvulsants
Aromatic compounds
Chemical analysis
Chemical synthesis
Derivatives
Diketones
Infrared spectroscopy
Mathematical analysis
NMR spectroscopy
Organic chemistry
Quantum chemistry
Spectrum analysis
Succinimides
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Summary:Novel succinimide derivatives were synthesized from 3-methyl-3-phenylsuccinic acid and substituted anilines under solvent-free conditions using the microwave irradiation. All obtained compounds were characterized by the UV, FT-IR, 1H and 13? NMR spectroscopy as well as by elemental analysis. The influence of the substituent electronic effects on the spectroscopic data has been analyzed applying the Hammett equation. Moreover, a detailed interpretation and comparison of experimentally obtained and theoretically calculated FT-IR, UV and NMR spectra have been performed. DFT calculated data of the investigated succinimides are obtained and analyzed in order to determine their structural, spectroscopic and electronic properties. Furthermore, ADMET factor profiling and in-silico prediction of potential biological activities of novel succinimide derivatives have been performed.
ISSN:0367-598X
2217-7426
DOI:10.2298/HEMIND190214011P