Electrochemical C−H Functionalization of (Hetero)Arenes—Optimized by DoE
Abstract A novel approach towards the activation of different arenes and purines including caffeine and theophylline is presented. The simple, safe and scalable electrochemical synthesis of 1,1,1,3,3,3‐hexafluoroisopropanol (HFIP) aryl ethers was conducted using an easy electrolysis setup with boron‐doped diamond (BDD) electrodes. Good yields up to 59 % were achieved. Triethylamine was used as a base as it forms a highly conductive media with HFIP, making additional supporting electrolytes superfluous. The synthesis was optimized using Design of Experiment (DoE) techniques giving a detailed insight to the significance of the reaction parameters. The mechanism was investigated by cyclic volt…
CCDC 1988067: Experimental Crystal Structure Determination
Related Article: Maurice Dörr, Johannes L. Röckl, Jonas Rein, Dieter Schollmeyer, Siegfried R. Waldvogel|2020|Chem.-Eur.J.|26|10195|doi:10.1002/chem.202001171