Statistical experimental design-driven discovery of room-temperature conditions for palladium-catalyzed cyanation of aryl bromides |
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| Authors: | Federica Stazi Marco Turconi |
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| Affiliation: | a Dipartimento di Scienze Chimiche Fisiche e Matematiche, Università dell’Insubria, Via Valleggio 11, 22100 Como, Italy
b Chemistry Research Centre, Boehringer Ingelheim Italia, Via Lorenzini 8, 20139 Milano, Italy |
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| Abstract: | A combination of Pd2(dba)3·CHCl3 (0.5 mol %) and commercially available, air-stable phosphonium salt [(t-Bu)3PH]BF4 (1.4 mol %) in a presence of Zn powder and Zn(CN)2 as the cyanide source comprises an extremely efficient catalyst system for the cyanation of a diverse array of aryl bromides, at room temperature. This result emerged from an experimental strategy that combines the advantages of parallel, automated experimentation with the design of experiments (DOE) for the effective definition of an optimal set of reaction conditions. |
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| Keywords: | Cyanation Aryl bromides Room temperature Electron-rich phosphines Design of experiments |
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