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Synthesis and antioxidant activity of novel 5-chlorocurcumin, supplemented by semi empirical calculation

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Document pages: 7 pages

Abstract: A new curcumin derivative (1E, 4Z, 6e) - 5-chloro-1,7-bis (4-hydroxy-3-methoxyphenyl) hept-1,4,6-triene-3-one (5-chlorocurcumin) was synthesized from natural curcumin. The newly synthesized compounds were characterized by spectral studies (IR, 1H NMR and 13C NMR). The free radical scavenging activity of 5-chlorocurcumin was determined by measuring the interaction between 5-chlorocurcumin and stable free radical DPPH, and 5-chlorocurcumin showed encouraging antioxidant activity. Using the optimized molecular structure, the synthetic 5-chlorocurcumin was calculated theoretically. Molecular orbital calculation provides a detailed description of the orbital, including spatial characteristics, node modes and the contribution of a single atom.

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