Transition states of the retro-ene reactions of allylic diazenes

Arash Jabbari, Erik J. Sorensen, K. N. Houk

Research output: Contribution to journalArticle

18 Scopus citations

Abstract

Density functional theory studies of intramolecular retro-ene reactions of allyldiazenes show that the reaction is a concerted process involving a six-center cyclic transition state. The activation barriers for deazetization for X = H, Me, F, Cl, and Br (3a-e) are 2.4, 40.2, 22.3, 9.3, and 8.8 kcal/mol, respectively.

Original languageEnglish (US)
Pages (from-to)3105-3107
Number of pages3
JournalOrganic Letters
Volume8
Issue number14
DOIs
StatePublished - Jul 6 2006

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry

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