6-Amino-5-hydroxy-2,3-dimethylpyrimidin-4(3H)-one as an efficient inhibitor of free radical oxidation

6-Amino-5-hydroxy-2,3-dimethylpyrimidin-4(3H)-one as an efficient inhibitor of free radical oxidation

[Display omitted] 6-Amino-5-hydroxy-2,3-dimethylpyrimidin-4(3H)-one inhibits initiated styrene oxidation with the same efficiency as vitamin E compounds. Calculations at M05/MG3S level of theory for the abstraction of a hydrogen atom by a peroxyl radical indicate an early transition state, which clo...

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Bibliographic Details
Published in:Mendeleev communications Vol. 29; no. 4; pp. 414 - 416
Main Authors: Grabovskiy, Stanislav A., Grabovskaya, Yulia S., Antipin, Arcadiy V., Kabal’nova, Natalia N.
Format: Journal Article
Language:English
Published: Elsevier B.V 01-07-2019
Online Access:Get full text
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Summary:[Display omitted] 6-Amino-5-hydroxy-2,3-dimethylpyrimidin-4(3H)-one inhibits initiated styrene oxidation with the same efficiency as vitamin E compounds. Calculations at M05/MG3S level of theory for the abstraction of a hydrogen atom by a peroxyl radical indicate an early transition state, which closely resembles a pre-reaction hydrogen bond-containing complex responsible for the high rate constant.
ISSN:0959-9436
DOI:10.1016/j.mencom.2019.07.019