Alkane Hydroxylation by Peroxy Acids: A Comparison with the Cytochrome P450 Hydroxylation

A.R. Groenhof; A.W. Ehlers; K. Lammertsma

doi:10.1021/jp801720s

Alkane Hydroxylation by Peroxy Acids: A Comparison with the Cytochrome P450 Hydroxylation

A.R. Groenhof, A.W. Ehlers, K. Lammertsma

Organic Chemistry

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Alkane hydroxylation by peroxy acids proceeds by a synchronous nonconcerted peroxy oxygen insertion into the C-H bond according to density functional theory. A comparable reaction sequence, initiated by homolytic peroxy bond cleavage, can be formulated for the alkane hydroxylation by the cytochrome P450 hydroperoxoheme Compound 0. This hydroxylation reaction proceeds by a two-step process because the formed reactive intermediate, Compound II, is significantly stabilized. © 2008 American Chemical Society.

Original language	English
Journal	Journal of Physical Chemistry A
DOIs	https://doi.org/10.1021/jp801720s
Publication status	Published - 2008

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title = "Alkane Hydroxylation by Peroxy Acids: A Comparison with the Cytochrome P450 Hydroxylation",

abstract = "Alkane hydroxylation by peroxy acids proceeds by a synchronous nonconcerted peroxy oxygen insertion into the C-H bond according to density functional theory. A comparable reaction sequence, initiated by homolytic peroxy bond cleavage, can be formulated for the alkane hydroxylation by the cytochrome P450 hydroperoxoheme Compound 0. This hydroxylation reaction proceeds by a two-step process because the formed reactive intermediate, Compound II, is significantly stabilized. {\textcopyright} 2008 American Chemical Society.",

author = "A.R. Groenhof and A.W. Ehlers and K. Lammertsma",

year = "2008",

doi = "10.1021/jp801720s",

language = "English",

journal = "Journal of Physical Chemistry A",

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T1 - Alkane Hydroxylation by Peroxy Acids: A Comparison with the Cytochrome P450 Hydroxylation

AU - Groenhof, A.R.

AU - Ehlers, A.W.

AU - Lammertsma, K.

PY - 2008

Y1 - 2008

N2 - Alkane hydroxylation by peroxy acids proceeds by a synchronous nonconcerted peroxy oxygen insertion into the C-H bond according to density functional theory. A comparable reaction sequence, initiated by homolytic peroxy bond cleavage, can be formulated for the alkane hydroxylation by the cytochrome P450 hydroperoxoheme Compound 0. This hydroxylation reaction proceeds by a two-step process because the formed reactive intermediate, Compound II, is significantly stabilized. © 2008 American Chemical Society.

AB - Alkane hydroxylation by peroxy acids proceeds by a synchronous nonconcerted peroxy oxygen insertion into the C-H bond according to density functional theory. A comparable reaction sequence, initiated by homolytic peroxy bond cleavage, can be formulated for the alkane hydroxylation by the cytochrome P450 hydroperoxoheme Compound 0. This hydroxylation reaction proceeds by a two-step process because the formed reactive intermediate, Compound II, is significantly stabilized. © 2008 American Chemical Society.

U2 - 10.1021/jp801720s

DO - 10.1021/jp801720s

M3 - Article

SN - 1089-5639

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

ER -

Alkane Hydroxylation by Peroxy Acids: A Comparison with the Cytochrome P450 Hydroxylation

Abstract

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