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- Title
Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potential anticonvulsant agents.
- Authors
Cvetković, Jelena Petković; Božić, Bojan; Banjac, Nebojša; Lađarević, Jelena; Vitnik, Vesna; Vitnik, Željko; Valentić, Nataša; Ušćumlić, Gordana
- Abstract
Novel succinimide derivatives were synthesized from 3-methyl-3-phenylsuccinic acid and substituted anilines under solvent-free conditions by using microwave irradiation. All obtained compounds were characterized by ultraviolet (UV), Fourier-transform infrared (FT-IR), 1H and 13С nuclear magnetic resonance (NMR) spectroscopy as well as by elemental analysis. The influence of the substituent electronic effects on spectroscopic data was analyzed by applying the Hammett equation. Moreover, a detailed interpretation and comparison of experimentally obtained and theoretically calculated FT-IR, UV and NMR spectra was performed. Density functional theory (DFT) calculated data of the investigated succinimides were 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.
- Subjects
HAMMETT equation; NUCLEAR magnetic resonance; POLAR effects (Chemistry); LAMOTRIGINE; DENSITY functional theory; SUCCINIMIDES
- Publication
Chemical Industry / Hemijska Industrija, 2019, Vol 73, Issue 2, p125
- ISSN
0367-598X
- Publication type
Article
- DOI
10.2298/HEMIND190214011P