Issue 31, 2014

Mechanism of the cysteine sulfenic acid O-sulfenylation of 1,3-cyclohexanedione

Abstract

The density functionals B3LYP, B3PW91, M062X, and CAM-B3LYP with the 6-311+G(d,p) basis set predict the cysteine sulfenic acid O-sulfenylation of the s-cis-ketoenol tautomer of 1,3-cyclohexanedione proceeds through a cyclic 14-membered transition state structure containing three water molecules.

Graphical abstract: Mechanism of the cysteine sulfenic acid O-sulfenylation of 1,3-cyclohexanedione

Supplementary files

Article information

Article type
Communication
Submitted
09 Feb 2014
Accepted
04 Mar 2014
First published
04 Mar 2014

Chem. Commun., 2014,50, 4102-4104

Author version available

Mechanism of the cysteine sulfenic acid O-sulfenylation of 1,3-cyclohexanedione

F. Freeman, Chem. Commun., 2014, 50, 4102 DOI: 10.1039/C4CC00925H

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