First determination of the rate constant for ring-closure of an azahexenoyl radical: 6-aza-7-ethyl-5-hexenoyl.
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)).
Kyne
Sara H
SH
ARC Centre of Excellence for Free Radical Chemistry and Biotechnology, Australia.
Lin
Ching Yeh
CY
Ryu
Ilhyong
I
Coote
Michelle L
ML
Schiesser
Carl H
CH
D001372:Aza Compounds / Q000737:chemistry*; D003500:Cyclization; D005609:Free Radicals / Q000737:chemistry*; D007700:Kinetics; D008968:Molecular Conformation
C554145:6-aza-7-ethyl-5-hexenoyl; D001372:Aza Compounds; D005609:Free Radicals