April 28, 2017Open Access

Ir-Catalyzed ortho-Borylation of Phenols Directed by Substrate–Ligand Electrostatic Interactions: A Combined Experimental/in Silico Strategy for Optimizing Weak Interactions

BCBuddhadeb ChattopadhyayIndian Institute of Science Education and Research Pune JDJonathan E. DannattUniversity of Dallas ISIvonne L. Andujar-De SanctisTexas A&M University

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Abstract

gave ortho selectivities > 99%. Adding triethylamine significantly improved conversions. This ligand-substrate electrostatic interaction provides a unique control element for selective C-H functionalization.

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Chattopadhyay et al. (Fri,) studied this question.

synapsesocial.com/papers/6a013f35b124fe5819864d3a https://doi.org/https://doi.org/10.1021/jacs.7b02232

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