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Issue 4, 2015
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Identifying lead hits in catalyst discovery by screening and deconvoluting complex mixtures of catalyst components

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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

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Publication details

The article was received on 23 Jan 2015, accepted on 16 Feb 2015 and first published on 16 Feb 2015


Article type: Edge Article
DOI: 10.1039/C5SC00268K
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Chem. Sci., 2015,6, 2501-2505
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    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

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