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New Chalcone Derivative: Synthesis, Characterization, Computational Studies and Antioxidant Activity

Author(s):

Reşat Ustabaşa, Nevin Süleymanoğlu*, Namık Özdemir, Nuran Kahriman, Ersan Bektaş and Yasemin Ünver   Pages 1 - 8 ( 8 )

Abstract:


A new chalcone derivative, called as 1-(4-(benzylideneamino)phenyl)-3-(furan-2-yl)prop-2- en-1-one (I), was synthezised and characterized by spectral methods (infrared (IR) and proton and carbon- 13 nuclear magnetic resonance (1H- and 13C-NMR) spectroscopy). A computational study was performed by the density functional theory (DFT) method. Spectral data of compound I optimized by using 6-311G(d,p) and 6-311++G(d,p) basis sets were obtained by 6-311++G(d,p) basis set. The E-Z isomerism for newly synthesized chalcone derivative was investigated by considering four isomeric form, E/E, E/Z, Z/E and Z/Z. The results show that, as assumed and thus named, the chalcone derivative is in the E/E form. In addition, quantum chemical parameters were calculated by using DFT method with 6-311++G(d,p) basis set. Antioxidant activity of compound I was determined by the ferric reducing ability of plasma (FRAP) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay methods. Compound I has low antioxidant activity.

Keywords:

FTIR and NMR spectroscopy; , chalcone derivative;, E-Z isomerism; , DFT calculations, Antioxidant Activity

Affiliation:

Department of Mathematics and Science Education, Educational Faculty, Ondokuz Mayıs University, 55139 Kurupelit, Samsun, Vocational School of Technical Sciences, Gazi University, 06374 Ostim, Ankara, Department of Mathematics and Science Education, Educational Faculty, Ondokuz Mayıs University, 55139 Kurupelit, Samsun, Department of Chemistry, Faculty of Sciences, Karadeniz Technical University, 61080 Trabzon, Giresun University, Espiye Vocational School, 28600, Espiye, Department of Chemistry, Faculty of Sciences, Karadeniz Technical University, 61080 Trabzon



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