@article{10272/21255, year = {2022}, url = {http://hdl.handle.net/10272/21255}, abstract = {We have recently developed a method for the synthesis of pyrrolidines and piperidines via intramolecular C–H amination of N-fluoride amides using [TpxCuL] complexes as precatalysts [Tpx = tris(pyrazolyl)borate ligand and L = THF or CH3CN]. Herein, we report mechanistic studies on this transformation, which includes the isolation and structural characterization of a fluorinated copper(II) complex, [(TpiPr2OH)CuF] [TpiPr = hydrotris(3,5-diisopropylpyrazolyl)borate], pertinent to the mechanistic pathway. The effects of the nature of the Tpx ligand in the copper catalyst as well as of the halide in the N–X amides employed as reactants have been investigated both from experimental and computational perspectives.}, organization = {We thank the Ministerio de Ciencia e Innovación (PID2020- 113797RB-C21, PID2020-112825RB-I00, CTQ2017-88496-R, and CEX2019-000925-S), COST Action CA15106 “C−H Activation in Organic Synthesis (CHAOS)”and Red Intecat (CTQ2016-81923-REDC), and Universidad de Huelva (P.O.Feder 2014-2020 UHU-1254043). We thank Universidad de Huelva/CBUA for funding for open access charge.}, publisher = {American Chemical Society}, title = {Mechanistic Studies on the Synthesis of Pyrrolidines and Piperidines via Copper-Catalyzed Intramolecular C–H Amination}, doi = {10.1021/acs.organomet.2c00095}, author = {Muñoz Molina, José María and Bafaluy, Daniel and Funes Ardoiz, Ignacio and Aguirre, Adiran J. de and Maseras, Feliu and Rodríguez Belderraín, Tomás and Pérez Romero, Pedro José and Muñiz, Kilian}, }