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

Kyne, S. H.
Lin, C. Y.
Ryu, I.
Coote, M. L.
Schiesser, C. H.

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Publication date

May 2010

DOI

10.1039/c0cc01262a

Publisher

Royal Society of Chemistry (RSC)

ISSN

1359-7345

Citation count (estimate)

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)

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

Abstract

Extracted data

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

Abstract

Extracted data

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