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

doi:10.1039/c0cc01262a

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

Research output: Contribution to journal › Article › peer-review

31 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 language	English
Pages (from-to)	6521-6523
Number of pages	3
Journal	Chemical Communications
Volume	46
Issue number	35
DOIs	https://doi.org/10.1039/c0cc01262a
Publication status	Published - 21 Sept 2010

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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).",

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AU - Kyne, Sara H.

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AU - Ryu, Ilhyong

AU - Coote, Michelle L.

AU - Schiesser, Carl H.

PY - 2010/9/21

Y1 - 2010/9/21

N2 - 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).

AB - 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).

UR - https://www.scopus.com/pages/publications/77956020759

U2 - 10.1039/c0cc01262a

DO - 10.1039/c0cc01262a

M3 - Article

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JO - Chemical Communications

JF - Chemical Communications

IS - 35

ER -

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

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