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

Authors
Davies, IW Deeth, RJ Larsen, RD Reider, PJ
Citation
Iw. Davies et al., A CLFSE/MM study on the role of ligand bite-angle in Cu(II)-catalyzed Diels-Alder reactions, TETRAHEDR L, 40(7), 1999, pp. 1233-1236
Citations number
10
Categorie Soggetti
Chemistry & Analysis","Organic Chemistry/Polymer Science
Journal title
TETRAHEDRON LETTERS
ISSN journal
00404039 → ACNP
Volume
40
Issue
7
Year of publication
1999
Pages
1233 - 1236
Database
ISI
SICI code
0040-4039(19990212)40:7<1233:ACSOTR>2.0.ZU;2-Y
Abstract
A single force-field has been developed for modeling bis(oxazoline) and pyr idine-bis(oxazoline) copper(II)-complexes. Using this force field the role of ligand bite-angle on the enantioselectivity of Cu(II)-catalyzed Diels-Al der was confirmed and for the first time, a direct comparison of the role o f C-4 oxazoline substituents was achieved. (C) 1999 Elsevier Science Ltd. A ll rights reserved.