Issue 4, 2015

Identifying lead hits in catalyst discovery by screening and deconvoluting complex mixtures of catalyst components

Abstract

A reaction-economic combinatorial strategy is described for lead hit identification in catalyst discovery efforts directed towards a specific transformation. Complex mixtures of rationally chosen precatalysts and ligands are screened against various reaction parameters to identify lead conditions in a small number of reactions. Iterative deconvolution of the resulting hits identifies which components contribute to the lead in situ generated catalyst. Application of this strategy rapidly uncovered a new mild in situ generated catalyst for the dehydrative Friedel–Crafts reaction as well as conditions for selective monoarylation in catalytic ortho-C–H arylation of unsubstituted N-(quinolin-8-yl)benzamide.

Graphical abstract: Identifying lead hits in catalyst discovery by screening and deconvoluting complex mixtures of catalyst components

Supplementary files

Article information

Article type
Edge Article
Submitted
23 Jan 2015
Accepted
16 Feb 2015
First published
16 Feb 2015
This article is Open Access

All publication charges for this article have been paid for by the Royal Society of Chemistry
Creative Commons BY license

Chem. Sci., 2015,6, 2501-2505

Author version available

Identifying lead hits in catalyst discovery by screening and deconvoluting complex mixtures of catalyst components

E. Wolf, E. Richmond and J. Moran, Chem. Sci., 2015, 6, 2501 DOI: 10.1039/C5SC00268K

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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