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Bioinorganic Chemistry and Applications
Volume 2013 (2013), Article ID 354982, 7 pages
Research Article

Synthesis and Antioxidant Activities of Novel 5-Chlorocurcumin, Complemented by Semiempirical Calculations

1Department of Chemical & Process Engineering, Universiti of Kebangsaan Malaysia (UKM), 43000 Bangi, Selangor, Malaysia
2Applied Chemistry Division, Applied Science Department, University of Technology (UOT), Baghdad 10001, Iraq

Received 31 July 2013; Revised 19 August 2013; Accepted 20 August 2013

Academic Editor: Enrico Rizzarelli

Copyright © 2013 Ahmed A. Al-Amiery et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


The novel curcumin derivative (1E,4Z,6E)-5-chloro-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one (5-chlorocurcumin) was prepared from natural curcumin. The newly synthesised compound was characterised by spectral studies (IR, 1H NMR, and 13C NMR). The free radical scavenging activity of 5-chlorocurcumin has been determined by measuring interaction with the stable free radical DPPH, and 5-chlorocurcumin has shown encouraging antioxidant activities. Theory calculations of the synthesised 5-chlorocurcumin were performed using molecular structures with optimised geometries. Molecular orbital calculations provided a detailed description of the orbitals, including spatial characteristics, nodal patterns, and the contributions of individual atoms.