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

Chemical Science
Eléna WolfJoseph Moran

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.

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Citations

May 9, 2018·Chemical Society Reviews·Marc Renom-Carrasco, Laurent Lefort
Jan 11, 2019·Chemistry : a European Journal·Susana Estopiñá-DuránJames E Taylor
Apr 30, 2020·Chemistry : a European Journal·Shaofei ZhangJoseph Moran
Nov 18, 2017·Chemistry : a European Journal·Fredrik SchaufelbergerOlof Ramström
May 16, 2019·Chemical Society Reviews·Dennis G Hall
Jul 7, 2020·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·P S LöserA Llevot
Mar 24, 2016·Angewandte Chemie·Matthew N HopkinsonFrank Glorius
Sep 23, 2020·Organic Letters·Susana Estopiñá-DuránJames E Taylor
Jul 22, 2015·Journal of the American Chemical Society·Marian DryzhakovJoseph Moran
Jun 2, 2015·The Journal of Organic Chemistry·Edward Richmond, Joseph Moran
Aug 12, 2017·The Journal of Organic Chemistry·Thomas L Seidl, David R Stuart
Jan 1, 2021·The Journal of Organic Chemistry·Raphael R SteimbachMarco Santagostino

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Methods Mentioned

BETA
column chromatography

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