Computational Study of Factors Controlling the Boat and Chair Transition States of Ireland-Claisen Rearrangements

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Gul Ş., Schoenebeck F., Aviyente V., Houk K. N.

JOURNAL OF ORGANIC CHEMISTRY, cilt.75, sa.6, ss.2115-2118, 2010 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 75 Sayı: 6
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1021/jo100033d
  • Dergi Adı: JOURNAL OF ORGANIC CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.2115-2118
  • İstanbul Üniversitesi Adresli: Hayır

Özet

The origins of the boat transition state preference in the Ireland-Claisen rearrangements Studied experimentally by Kishi and co-workers have been explored computationally with Density Functional Theory. Steric interactions in the chair transition states were identified as the principal reason for the boat transition state preference.