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

Authors
Type
Published Article
Journal
Chemical Communications
1364-548X
Publisher
The Royal Society of Chemistry
Publication Date
Volume
46
Issue
35
Pages
6521–6523
Identifiers
DOI: 10.1039/c0cc01262a
PMID: 20714539
Source
Medline
License
Unknown

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 10(6) s(-1) at 90 degrees C in benzene, in good agreement with ONIOM-G3(MP2)-CC+COSMO-RS calculations (6.8 x 10(6) s(-1)).

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