Abstract
The activity and active site of 1,3-indandiones for autoxidation of tetralin were studied. 1,3-Indandione itself did not show antioxidative activity, but the introduction of a phenyl group at the 2-position resulted in such activity. The introduction of an electron-donating group ortho to the 2-phenyl group did not suppress the oxidation appreciably. A semiempirical MNDO-AM1 calculation was used to determine the active site for the antioxidative activity of 1,3-indandiones. On the basis of this result, it was concluded that the active site is the methine hydrogen on the β-diketone moiety.
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