ArticleChemical science2016
Unraveling innate substrate control in site-selective palladium-catalyzed C-H heterocycle functionalization.
Article in Chemical science, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Using Yield Profiles to Study Reaction Mechanism.ACS catalysis · 2025Article
- Computational tools for the prediction of site- and regioselectivity of organic reactions.Chemical science · 2025Review
- Review
- Article
- Direct Arylation in the Presence of Palladium Pincer Complexes.Molecules (Basel, Switzerland) · 2021Review
- The Three-Component Synthesis of 4-Sulfonyl-1,2,3-triazoles via a Sequential Aerobic Copper-Catalyzed Sulfonylation and Dimroth Cyclization.Molecules (Basel, Switzerland) · 2021Article
- Regiocontrol in the oxidative Heck reaction of indole by ligand-enabled switch of the regioselectivity-determining step.Chemical science · 2020Article
- Hydrogen-Bond-Dependent Conformational Switching: A Computational Challenge from Experimental Thermochemistry.The Journal of organic chemistry · 2019Article
- Computational study on palladium-catalyzed alkenylation of remote δ-C(spRSC advances · 2018Article
- C-H Cyanation of 6-Ring N-Containing Heteroaromatics.Chemistry (Weinheim an der Bergstrasse, Germany) · 2017Article
- Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Understanding the regioselectivity of C-H activation in the absence of directing groups is an important step towards the design of site-selective C-H functionalizations. The Pd(ii)-catalyzed direct arylation of chromones and enaminones provides an intriguing example where a simple substitution leads to a divergence in substrate-controlled site-selectivity. We describe computational and experimental studies which reveal this results from a switch in mechanism and therefore the selectivity-determining step. We present computational results and experimentally measured kinetic isotope effects and labelling studies consistent with this proposal. The C-H activation of these substrates proceeds
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Registered trials
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