Synthesis of the Hydrazones of 2‐((3,5‐Di‐tert‐butyl‐4‐hydroxybenzyl)thio) acetohydrazide and the Study of their Radical Scavenging Activity by the DPPH Assay and the Computational Method
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Synthesis of the Hydrazones of 2‐((3,5‐Di‐tert‐butyl‐4‐hydroxybenzyl)thio) acetohydrazide and the Study of their Radical Scavenging Activity by the DPPH Assay and the Computational Method
Beschreibung:
<jats:p>The synthesis of antioxidant compounds bearing pharmacologically active groups has become a research interest in the last decade. A series of hydrazones containing a butylated hydroxyl group were synthesized from 2‐((3,5‐di‐tert‐butyl‐4‐hydroxybenzyl)thio)acetohydrazide and various benzaldehyde derivatives, and their radical scavenging activity was explored by 2,2‐diphenyl‐1‐picrylhydrazyl (<jats:styled-content style="fixed-case">DPPH</jats:styled-content>) assay and computational calculations. Based on the results, the effects of different substituents on the <jats:styled-content style="fixed-case">DPPH IC<jats:sub>50</jats:sub>
</jats:styled-content> values were discussed. The bond dissociation enthalpies (<jats:styled-content style="fixed-case">BDE</jats:styled-content>) of OH and NH bonds and the spin density (<jats:styled-content style="fixed-case">SD</jats:styled-content>) values of the compounds were calculated using the density functional theory (<jats:styled-content style="fixed-case">DFT</jats:styled-content>) to determine the theoretical capability of the hydrazones as radical scavengers. Based on the results, the effects of the thioether group and the substituent groups next to the NH bond on the <jats:styled-content style="fixed-case">BDE</jats:styled-content> values were also discussed.</jats:p>