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

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 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

Access to Document

10.1039/c0cc01262a

Cite this

@article{98a4f32f430e43fda3f11cbfcee46f12,

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

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).",

author = "Kyne, {Sara H.} and Lin, {Ching Yeh} and Ilhyong Ryu and Coote, {Michelle L.} and Schiesser, {Carl H.}",

year = "2010",

month = sep,

day = "21",

doi = "10.1039/c0cc01262a",

language = "English",

volume = "46",

pages = "6521--6523",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "35",

}

TY - JOUR

T1 - First determination of the rate constant for ring-closure of an azahexenoyl radical

T2 - 6-aza-7-ethyl-5-hexenoyl

AU - Kyne, Sara H.

AU - Lin, Ching Yeh

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 - http://www.scopus.com/inward/record.url?scp=77956020759&partnerID=8YFLogxK

U2 - 10.1039/c0cc01262a

DO - 10.1039/c0cc01262a

M3 - Article

SN - 1359-7345

VL - 46

SP - 6521

EP - 6523

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this