ArticleJournal of the American Chemical Society2017
Predictive Model for Site-Selective Aryl and Heteroaryl C-H Functionalization via Organic Photoredox Catalysis.
Article in Journal of the American Chemical Society, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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Who cites it
33 citing papers in PubMed.
- Predictable C-H Functionalization of ComplexACS central science · 2025Article
- Arene and Heteroarene Functionalization Enabled by Organic Photoredox Catalysis.Accounts of chemical research · 2025Article
- Computational tools for the prediction of site- and regioselectivity of organic reactions.Chemical science · 2025Review
- Synthesis of Biaryl Atropisomers via Site-Selective C-H Functionalization.Organic letters · 2025Article
- Reassessing the Photochemical Upcycling of Polystyrene Using Acridinium Salts.Angewandte Chemie (International ed. in English) · 2025Article
- Amination of Phenols and Halophenols via Pyridinium-Iridium Dual Photocatalysis.ACS catalysis · 2024Article
- Synthesis of Phenol-Pyridinium Salts Enabled by Tandem Electron Donor-Acceptor Complexation and Iridium Photocatalysis.The Journal of organic chemistry · 2024Article
- Combining photoredox catalysis and hydrogen atom transfer for dearomative functionalization of electron rich heteroarenes.Chemical science · 2023Article
- Chemoselective Decarboxylative Protonation Enabled by Cooperative Earth-Abundant Element Catalysis.Angewandte Chemie (International ed. in English) · 2023Article
- Selective skeletal editing of polycyclic arenes using organophotoredox dearomative functionalization.Nature communications · 2022Article
- Electrochemical aromatic C-H hydroxylation in continuous flow.Nature communications · 2022Article
- Photoredox-Catalyzed C-H Functionalization Reactions.Chemical reviews · 2022Review
- Technological Innovations in Photochemistry for Organic Synthesis: Flow Chemistry, High-Throughput Experimentation, Scale-up, and Photoelectrochemistry.Chemical reviews · 2022Review
- Photochemical and Electrochemical Applications of Proton-Coupled Electron Transfer in Organic Synthesis.Chemical reviews · 2022Review
- Dehydrogenative Azolation of Arenes in a Microflow Electrochemical Reactor.The Journal of organic chemistry · 2021Article
- Azine Activation via Silylium Catalysis.Journal of the American Chemical Society · 2021Article
- Electrophotocatalytic C-H Heterofunctionalization of Arenes.Angewandte Chemie (International ed. in English) · 2021Article
- Photocatalytic Generation of Aminium Radical Cations for C─N Bond Formation.ACS catalysis · 2020Article
- Direct Radiofluorination of Arene C-H Bonds via Photoredox Catalysis Using a Peroxide as the Terminal Oxidant.Organic letters · 2020Article
- Nucleophilic Aromatic Substitution of Unactivated Fluoroarenes Enabled by Organic Photoredox Catalysis.Journal of the American Chemical Society · 2020Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
Direct C-H functionalization of aromatic compounds is a useful synthetic strategy that has garnered much attention because of its application to pharmaceuticals, agrochemicals, and late-stage functionalization reactions on complex molecules. On the basis of previous methods disclosed by our lab, we sought to develop a predictive model for site selectivity and extend this aryl functionalization chemistry to a selected set of heteroaromatic systems commonly used in the pharmaceutical industry. Using electron density calculations, we were able to predict the site selectivity of direct C-H functionalization in a number of heterocycles and identify general trends observed across heterocycle classes.
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