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Title: A Simple, Multidimensional Approach to High-Throughput Discovery of Catalytic Reactions

Abstract

Transition metal complexes catalyze many important reactions that are employed in medicine, materials science, and energy production. Although high-throughput methods for the discovery of catalysts that would mirror related approaches for the discovery of medicinally active compounds have been the focus of much attention, these methods have not been sufficiently general or accessible to typical synthetic laboratories to be adopted widely. We report a method to evaluate a broad range of catalysts for potential coupling reactions with the use of simple laboratory equipment. Specifically, we screen an array of catalysts and ligands with a diverse mixture of substrates and then use mass spectrometry to identify reaction products that, by design, exceed the mass of any single substrate. Lastly, with this method, we discovered a copper-catalyzed alkyne hydroamination and two nickel-catalyzed hydroarylation reactions, each of which displays excellent functional-group tolerance.

Authors:
 [1];  [1]
  1. Univ. of Illinois, Urbana-Champaign, IL (United States). Dept. of Chemistry
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE; National Institutes of Health (NIH); Boehringer Ingelheim
OSTI Identifier:
1468801
Report Number(s):
LBNL-1007180
Journal ID: ISSN 0036-8075; ir:1007180
Grant/Contract Number:  
FG02-07ER15843; GM-55382
Resource Type:
Accepted Manuscript
Journal Name:
Science
Additional Journal Information:
Journal Volume: 333; Journal Issue: 6048; Journal ID: ISSN 0036-8075
Publisher:
AAAS
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Robbins, Daniel W., and Hartwig, John F. A Simple, Multidimensional Approach to High-Throughput Discovery of Catalytic Reactions. United States: N. p., 2011. Web. doi:10.1126/science.1207922.
Robbins, Daniel W., & Hartwig, John F. A Simple, Multidimensional Approach to High-Throughput Discovery of Catalytic Reactions. United States. doi:10.1126/science.1207922.
Robbins, Daniel W., and Hartwig, John F. Thu . "A Simple, Multidimensional Approach to High-Throughput Discovery of Catalytic Reactions". United States. doi:10.1126/science.1207922. https://www.osti.gov/servlets/purl/1468801.
@article{osti_1468801,
title = {A Simple, Multidimensional Approach to High-Throughput Discovery of Catalytic Reactions},
author = {Robbins, Daniel W. and Hartwig, John F.},
abstractNote = {Transition metal complexes catalyze many important reactions that are employed in medicine, materials science, and energy production. Although high-throughput methods for the discovery of catalysts that would mirror related approaches for the discovery of medicinally active compounds have been the focus of much attention, these methods have not been sufficiently general or accessible to typical synthetic laboratories to be adopted widely. We report a method to evaluate a broad range of catalysts for potential coupling reactions with the use of simple laboratory equipment. Specifically, we screen an array of catalysts and ligands with a diverse mixture of substrates and then use mass spectrometry to identify reaction products that, by design, exceed the mass of any single substrate. Lastly, with this method, we discovered a copper-catalyzed alkyne hydroamination and two nickel-catalyzed hydroarylation reactions, each of which displays excellent functional-group tolerance.},
doi = {10.1126/science.1207922},
journal = {Science},
number = 6048,
volume = 333,
place = {United States},
year = {2011},
month = {9}
}

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Cited by: 117 works
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    Contemporary screening approaches to reaction discovery and development
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    • Collins, Karl D.; Gensch, Tobias; Glorius, Frank
    • Nature Chemistry, Vol. 6, Issue 10
    • DOI: 10.1038/nchem.2062

    Ambient arylmagnesiation of alkynes catalysed by ligandless nickel(ii)
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    • Xue, Fei; Zhao, Jin; Hor, T. S. Andy
    • Chemical Communications, Vol. 49, Issue 86
    • DOI: 10.1039/c3cc45202f

    Ni-Catalyzed regio- and stereoselective addition of arylboronic acids to terminal alkynes with a directing group tether
    journal, January 2017

    • Hari Babu, Madala; Ranjith Kumar, Gadi; Kant, Ruchir
    • Chemical Communications, Vol. 53, Issue 27
    • DOI: 10.1039/c6cc10256e

    Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes
    journal, January 2016

    • Zhang, Xingjie; Xie, Xin; Liu, Yuanhong
    • Chemical Science, Vol. 7, Issue 9
    • DOI: 10.1039/c6sc01191h

    Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water
    journal, January 2018

    • Borja, Pilar; Vicent, Cristian; Baya, Miguel
    • Green Chemistry, Vol. 20, Issue 17
    • DOI: 10.1039/c8gc01933a

    A data-intensive approach to mechanistic elucidation applied to chiral anion catalysis
    journal, February 2015


    Computational Ligand Design for the Reductive Elimination of ArCF 3 from a Small Bite Angle Pd II Complex: Remarkable Effect of a Perfluoroalkyl Phosphine
    journal, May 2014

    • Nielsen, Mads C.; Bonney, Karl. J.; Schoenebeck, Franziska
    • Angewandte Chemie, Vol. 126, Issue 23
    • DOI: 10.1002/ange.201400837