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

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Published: Apr 29, 2019
Keywords:
Succinimide, Electronic effect, Spectroscopic analysis, Quantum chemical calculation

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Jelena Petković Cvetković
Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, P. O. Box 3503, 11120, Belgrade, Serbia
Bojan Božić
Institute of Physiology and Biochemistry, Faculty of Biology, University of Belgrade, Studentski trg 16, 11000 Belgrade, Serbia
Nebojša Banjac
Faculty of Agriculture, Food Technology and Biochemistry, University of Belgrade, Nemanjina 6, 11080, Belgrade, Zemun, Serbia
Jelena Lađarević
Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, P. O. Box 3503, 11120, Belgrade, Serbia
Vesna Vitnik
Department of Chemistry, ICTM, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia
Željko Vitnik
Department of Chemistry, ICTM, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia
Nataša Valentić
Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, P. O. Box 3503, 11120, Belgrade, Serbia
Gordana Ušćumlić
Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, P. O. Box 3503, 11120, Belgrade, Serbia

Abstract

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 13С 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.

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How to Cite
Petković Cvetković, J., Božić, B., Banjac, N., Lađarević, J., Vitnik, V., Vitnik, Željko, Valentić, N., & Ušćumlić, G. (2019). Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potentional anticonvulsant agents. HEMIJSKA INDUSTRIJA (Chemical Industry), 73(2), 125–137. Retrieved from https://www.ache-pub.org.rs/index.php/HemInd/article/view/493
Issue
Vol. 73 No. 2 (2019)
Section
Applied Chemistry
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