Issue 22, 2006
From the journal:

Organic & Biomolecular Chemistry

Stacking interactions as the principal design element in acyl-transfer catalysts†

Yin Wei,a   Ingmar Helda  and  Hendrik Zipse*a  

* Corresponding authors

a Department Chemie und Biochemie, LMU München, Butenandtstrasse 5-13, München, Germany
E-mail: zipse@cup.uni-muenchen.de

Abstract

The conformational properties and the stability of acylpyridinium intermediates formed in pyridine-catalyzed acylation reactions have been studied at the SCS-MP2(FC)/6-311+G(d,p)//MP2(FC)/6-31G(d) level of theory. It has been shown that stacking interactions can play a decisive role in the stability as well as the conformational preferences of these transient intermediates.

Graphical abstract: Stacking interactions as the principal design element in acyl-transfer catalysts

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Article information

DOI
https://doi.org/10.1039/B610140B
Article type
Paper
Submitted
14 Jul 2006
Accepted
06 Sep 2006
First published
13 Oct 2006

Org. Biomol. Chem., 2006,4, 4223-4230

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Stacking interactions as the principal design element in acyl-transfer catalysts

Y. Wei, I. Held and H. Zipse, Org. Biomol. Chem., 2006, 4, 4223 DOI: 10.1039/B610140B

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