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

doi:10.1016/S0040-4039(98)02596-9

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

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4 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 language	English (US)
Pages (from-to)	1233-1236
Number of pages	4
Journal	Tetrahedron Letters
Volume	40
Issue number	7
DOIs	https://doi.org/10.1016/S0040-4039(98)02596-9
State	Published - Feb 12 1999
Externally published	Yes

All Science Journal Classification (ASJC) codes

Biochemistry
Drug Discovery
Organic Chemistry

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10.1016/S0040-4039(98)02596-9

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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.",

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AU - Deeth, I. W.

AU - Deeth, R. J.

AU - Larsen, R. D.

AU - Reider, P. J.

PY - 1999/2/12

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N2 - 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.

AB - 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.

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

Abstract

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