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Updated: Jul 1, 2025

Synthesis of a Borylated Ibuprofen Derivative Through Suzuki Cross-Coupling and Alkene Boracarboxylation Reactions
Published on: November 30, 2022
A Computational Study of Photoinduced Borylation for Selected Boron Sources
Ka Wa Fan1, Hoi Ling Luk1, David Lee Phillips1
1Department of Chemistry, The University of Hong Kong, Hong Kong, P. R. China.
Abstract:
This research article uses density functional theory (DFT) to study photoinduced borylation. This work examined the electron donor-acceptor complex (EDA) of bis(catecholato)diboron with different redox-active leaving groups and bis(pinacol)diboron with aryl N-hydroxyphthalimide. The results of these DFT studies show the complex ratio of B2cat2 and N, N-dimethylacetamide (DMA) should be 1 : 2 which is consistent with the experimental results in the literature. We further proposed a reaction mechanism and calculated the energies associated with each step.
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