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Experimental and theoretical investigations of the antioxidant activity of 2,2′‐methylenebis(4,6‐dialkylphenol) compounds

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The antioxidant activity of two primary antioxidants, 2,2′-methylenebis(4-methyl-6-tert-butylphenol) (MMBPH2) and 2,2′-methylenebis(4,6-di-tert-butylphenol) (MDBPH2), has been studied using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) method. The synthesized compounds have been successfully characterized systematically using elemental… Click to show full abstract

The antioxidant activity of two primary antioxidants, 2,2′-methylenebis(4-methyl-6-tert-butylphenol) (MMBPH2) and 2,2′-methylenebis(4,6-di-tert-butylphenol) (MDBPH2), has been studied using the 1,1-diphenyl-2-picrylhydrazyl (DPPH) method. The synthesized compounds have been successfully characterized systematically using elemental analyses, infrared, 1H NMR and 13C NMR spectra and GC–MS. Importantly, it has been found that the compound MMBPH2 in particular is more active in DPPH radical scavenging. In addition, density functional theory calculations (B3LYP) have been used to predict the antioxidant activity and predict structural geometries of the compounds in the gas phase.

Keywords: antioxidant activity; investigations antioxidant; theoretical investigations; experimental theoretical; methylenebis; activity

Journal Title: Applied Organometallic Chemistry
Year Published: 2017

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