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      • Record: found
      • Abstract: found
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      Identifying lead hits in catalyst discovery by screening and deconvoluting complex mixtures of catalyst components†

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      Author(s): a , a , a ,
      Publication date (Electronic):
      Journal: Chemical Science
      Publisher: Royal Society of Chemistry

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          Abstract

          A combinatorial screening strategy is described that exploits complex mixtures of precatalysts and ligands to rapidly uncover lead in situ generated catalysts.

          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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          Most cited references61

          • Record: found
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          Catalytic Functionalization of C(sp2)H and C(sp3)H Bonds by Using Bidentate Directing Groups

          Guy Rouquet, Naoto Chatani (2013)
          Article 0 comments Cited 349 times – based on 0 reviews     Review now
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            Highly regioselective arylation of sp3 C-H bonds catalyzed by palladium acetate.

            Vladimir G. Zaitsev, Dmitry Shabashov, Olafs Daugulis (2005)
            A new palladium-catalyzed arylation process based on C-H activation has been developed. The utilization of pyridine-containing directing groups allows the beta-arylation of carboxylic acid derivatives and gamma-arylation of amine derivatives. Both primary and secondary sp3 C-H bonds, as well as sp2 C-H bonds, are reactive.
            Article 0 comments Cited 273 times – based on 0 reviews     Review now
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              Discovery of an α-amino C-H arylation reaction using the strategy of accelerated serendipity.

              Andrew McNally, Christopher K. Prier, David MacMillan (2011)
              Serendipity has long been a welcome yet elusive phenomenon in the advancement of chemistry. We sought to exploit serendipity as a means of rapidly identifying unanticipated chemical transformations. By using a high-throughput, automated workflow and evaluating a large number of random reactions, we have discovered a photoredox-catalyzed C-H arylation reaction for the construction of benzylic amines, an important structural motif within pharmaceutical compounds that is not readily accessed via simple substrates. The mechanism directly couples tertiary amines with cyanoaromatics by using mild and operationally trivial conditions.
              Article 0 comments Cited 245 times – based on 0 reviews     Review now
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                Author and article information

                Journal
                Journal ID (nlm-ta): Chem Sci
                Journal ID (iso-abbrev): Chem Sci
                Title: Chemical Science
                Publisher: Royal Society of Chemistry
                ISSN (Print): 2041-6520
                ISSN (Electronic): 2041-6539
                Publication date (Print): 1 April 2015
                Publication date (Electronic): 16 February 2015
                Volume: 6
                Issue: 4
                Pages: 2501-2505
                Affiliations
                [a ] ISIS & icFRC , Université de Strasbourg & CNRS , 8 allée Gaspard Monge , 67000 Strasbourg , France . Email: moran@ 123456unistra.fr
                Article
                Publisher ID: c5sc00268k
                DOI: 10.1039/c5sc00268k
                PMC ID: 5647744
                SO-VID: 5beac439-d6f4-46eb-8216-01f5fad1bb67
                Copyright © This journal is © The Royal Society of Chemistry 2015
                License:

                This is an Open Access article distributed under the terms of the Creative Commons Attribution 3.0 Unported License ( http://creativecommons.org/licenses/by/3.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

                History
                Date received : 23 January 2015
                Date accepted : 16 February 2015
                Categories
                Subject: Chemistry

                Notes

                †Electronic supplementary information (ESI) available: Experimental procedures and spectral data. See DOI: 10.1039/c5sc00268k


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