A CLFSE/MM study on the role of ligand bite-angle in Cu(II)-catalyzed Diels-Alder reactions

I. W. Deeth, R. J. Deeth, R. D. Larsen, P. J. Reider

Research output: Contribution to journalArticle

48 Scopus citations

Abstract

A single force-field has been developed for modeling bis(oxazoline) and pyridine-bis(oxazoline) copper(II)-complexes. Using this force field the role of ligand bite-angle on the enantioselectivity of Cu(II)-catalyzed Diels- Alder was confirmed and for the first time, a direct comparison of the role of C-4 oxazoline substituents was achieved.

Original languageEnglish (US)
Pages (from-to)1233-1236
Number of pages4
JournalTetrahedron Letters
Volume40
Issue number7
DOIs
StatePublished - Feb 12 1999
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Drug Discovery
  • Organic Chemistry

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