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

✍ Scribed by Ian W. Davies; Robert J. Deeth; Robert D. Larsen; Paul J. Reider

• Book ID: 104260558
• Publisher: Elsevier Science
• Year: 1999
• Tongue: French
• Weight: 283 KB
• Volume: 40
• Category: Article
• ISSN: 0040-4039
• DOI: 10.1016/s0040-4039(98)02596-9

✦ Synopsis

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