Journal
SYNLETT
Volume -, Issue -, Pages -Publisher
GEORG THIEME VERLAG KG
DOI: 10.1055/a-2071-4465
Keywords
carboxylic acid; boron catalyst; trifluoromethylthiolation; data science; drug modification; fluorine compounds
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A boron-catalyzed direct a-trifluoromethylthiolation of carboxylic acids was developed without the need of substrate pre-activation. The method allows for direct modification of bioactive carboxylic acids. Data science analyses provided suitable models for substrate classification and yield prediction.
A boron-catalyzed direct a-trifluoromethylthiolation of carboxylic acids was developed. Catalytically generated boron enediolates reacts with electrophilic SCF3 reagent, N-SCF3-phthalimide, to provide a-SCF3 carboxylic acids without the need of substrate pre-activation. The method is applicable to direct modification of bioactive carboxylic acids. Data science analyses provided suitable models for substrate clas-sification as well as yield prediction.
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