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

Sara H. Kyne, Ching Yeh Lin, Ilhyong Ryu, Michelle L. Coote, Carl H. Schiesser

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29 Citations (Scopus)

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) × 10 6 s-1 at 90° C in benzene, in good agreement with ONIOM-G3(MP2)-CC+COSMO-RS calculations (6.8 × 106 s -1).

Original languageEnglish
Pages (from-to)6521-6523
Number of pages3
JournalChemical Communications
Volume46
Issue number35
DOIs
Publication statusPublished - 21 Sep 2010
Externally publishedYes

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