First determination of the rate constant for ring-closure of an azahexenoyl radical: 6-aza-7-ethyl-5-hexenoyl

Kyne, S. H. and Lin, C. Y. and Ryu, I. and Coote, M. L. and Schiesser, C. H. (2010) First determination of the rate constant for ring-closure of an azahexenoyl radical: 6-aza-7-ethyl-5-hexenoyl. Chemical Communications, 46 (35). pp. 6521-6523. ISSN 1359-7345

Full content URL: http://dx.doi.org/10.1039/c0cc01262a

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Abstract

Competitive kinetic experiments utilising free radical carbonylation chemistry provide a first estimate for the rate constant for 6-endo cyclization of the 6-aza-7-ethyl-5-hexenoyl radical of (4.8 ± 2.4) X 106 s-1 at 90 ° C in benzene, in good agreement with ONIOM-G3(MP2)-CC+COSMO-RS calculations (6.8 X 106 s -1).

Keywords:Free radical carbonylation, Intramolecular cyclisation, Reaction kinetics, computational modeling
Subjects:F Physical Sciences > F160 Organic Chemistry
F Physical Sciences > F190 Chemistry not elsewhere classified
Divisions:College of Science > School of Chemistry
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ID Code:17619
Deposited On:12 Jun 2015 04:31

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