TY - JOUR
T1 - Room Temperature Regioselective Catalytic Hydrodefluorination of Fluoroarenes with trans-[Ru(NHC)4H2] via a Concerted Nucleophilic Ru-H Attack Pathway
AU - Cybulski, Mateusz K.
AU - McKay, David
AU - Macgregor, Stuart Alan
AU - Mahon, Mary F.
AU - Whittlesey, Michael K.
PY - 2017/2/1
Y1 - 2017/2/1
N2 - The efficient and highly selective room temperature hydro-defluorination (HDF) of fluoroarenes by the trans-[Ru(IMe4)4H2] catalyst, 3, is reported. Mechanistic studies show 3 acts directly in catalysis without any ligand dissociation and DFT calculations indicate a concerted nucleophilic attack mechanism. The calculations fully account for the observed selectivities which corroborate earlier predictions regarding the selectivity of HDF.
AB - The efficient and highly selective room temperature hydro-defluorination (HDF) of fluoroarenes by the trans-[Ru(IMe4)4H2] catalyst, 3, is reported. Mechanistic studies show 3 acts directly in catalysis without any ligand dissociation and DFT calculations indicate a concerted nucleophilic attack mechanism. The calculations fully account for the observed selectivities which corroborate earlier predictions regarding the selectivity of HDF.
U2 - 10.1002/anie.201610820
DO - 10.1002/anie.201610820
M3 - Article
C2 - 28067455
SN - 1433-7851
VL - 56
SP - 1515
EP - 1519
JO - Angewandte Chemie International Edition
JF - Angewandte Chemie International Edition
IS - 6
ER -