Unactivated Primary Aryl Bromides

The initial library of primary alkyl bromides was selected from the Auto-QChem database developed by the Doyle Lab. After excluding alpha-carbonyl, benzylic, allylic, propargylic bromides, and alkyl bromides containing iodide, a curated set of 878 structurally diverse and synthetically tractable primary alkyl bromides was obtained. This final collection represents a broad range of substitution patterns and functional group compatibility, ideal for cross-coupling reactivity studies.

Unactivated Primary Aryl Bromides

 

Publications

Żurański, A.M.; Wang, J.Y.; Shields, B.J.; Doyle, A.G. Auto-QChem: an automated workflow for the generation and storage of DFT calculations for organic molecules. React. Chem. Engin. 2022, 7, 1276-1284 doi.org/10.1039/D2RE00030J