Steric influences on the selectivity in palladium-catalyzed allylation

被引：104

作者：

Oslob, JD

Akermark, B

Helquist, P

Norrby, PO

机构：

[1] ROYAL DANISH SCH PHARM, DEPT MED CHEM, DK-2100 COPENHAGEN, DENMARK

[2] ROYAL INST TECHNOL, DEPT CHEM, S-10044 STOCKHOLM, SWEDEN

[3] UNIV NOTRE DAME, DEPT CHEM & BIOCHEM, NOTRE DAME, IN 46556 USA

来源：

ORGANOMETALLICS | 1997年 / 16卷 / 13期

关键词：

D O I：

10.1021/om9700371

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The product distribution from nucleophilic attack on (eta(3)-allyl)palladium complexes is analyzed by a combination of molecular mechanics and QSAR techniques. A predictive model has been derived from a training set carefully chosen to minimize effects from solvent, nucleophile, and electronic influences in allyl and ligand. The model shows good cross-validated predictive power and has been used to evaluate the relative importance of different steric influences an regio- and stereoselectivity in the title reaction.

引用

页码：3015 / 3021

页数：7

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