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Updated: Feb 16, 2026

Predicting Catalyst Extrudate Breakage Based on the Modulus of Rupture
Published on: May 13, 2018
Identifying lead hits in catalyst discovery by screening and deconvoluting complex mixtures of catalyst components
Eléna Wolf1, Edward Richmond1, Joseph Moran1
1ISIS & icFRC , Université de Strasbourg & CNRS , 8 allée Gaspard Monge , 67000 Strasbourg , France .
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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