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Marco Barezzi

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Machine learning-assisted development of a fast Mechanochemical Johnson–Corey–Chaykovsky reaction

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By Francesco Mele, Ana M. Constantin, Leonardo Rossi, Tomaso Fontanini, Paolo P. Mazzeo, Raimondo MAGGI, Nicola Della Ca’, Andrea Prati, Luca Capaldo, Marco Barezzi, Alex Ergasti, Sofia Civardi, Remie M. Sundermann
| Nature Verified
Abstract The Johnson-Corey-Chaykovsky reaction stands as an elegant approach for the synthesis of cyclopropanes and epoxides. However, most procedures still rely on the original NaH/DMSO conditions, which pose notable safety and handling issues especially in view of industrial applications. Herein, we combine Bayesian Optimization and mechanochemistry to develop a rapid, solvent-free protocol for the Johnson-Corey-Chaykovsky reaction.
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