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

Authors :: Kyne SH
Lin CY
Ryu I
Coote ML
Schiesser CH
Source :: Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2010 Sep 21; Vol. 46 (35), pp. 6521-3. Date of Electronic Publication: 2010 Aug 10.
Publication Year :: 2010
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)).

Subjects :: Cyclization
Kinetics
Molecular Conformation
Aza Compounds chemistry
Free Radicals chemistry

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