Mechanochemical Nucleophilic Substitution of Alcohols via Isouronium Intermediates

通过异脲中间体对醇进行机械化学亲核取代

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Abstract

An expansion of the solvent-free synthetic toolbox is essential for advances in the sustainable chemical industry. Mechanochemical reactions offer a superior safety profile and reduced amount of waste compared to conventional solvent-based synthesis. Herein a new mechanochemical method was developed for nucleophilic substitution of alcohols using fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate (TFFH) and K(2) HPO(4) as an alcohol-activating reagent and a base, respectively. Alcohol activation and reaction with a nucleophile were performed in one milling jar via reactive isouronium intermediates. Nucleophilic substitution with amines afforded alkylated amines in 31-91 % yields. The complete stereoinversion occurred for the S(N) 2 reaction of (R)- and (S)-ethyl lactates. Substitution with halide anions (F(-) , Br(-) , I(-) ) and oxygen-centered (CH(3) OH, PhO(-) ) nucleophiles was also tested. Application of the method to the synthesis of active pharmaceutical ingredients has been demonstrated.

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