Mechanistic Studies

Papers describing mechanistic studies.

Kinetic Modeling Enables Understanding of Off-Cycle Processes in Pd-Catalyzed Amination of Five-Membered Heteroaryl Halides

E. Reichert Raguram, Dahl, J. C. , Jensen, K. F. , and Buchwald, S. L. “Kinetic Modeling Enables Understanding of Off-Cycle Processes in Pd-Catalyzed Amination of Five-Membered Heteroaryl Halides”, J. Am. Chem. Soc., 2024, 146(48), 33035-33047.

Studying Regioisomer Formation in the Pd-Catalyzed Fluorination of Cyclic Vinyl Triflates: Evidence for in situ Ligand Modification

Y. Ye, Kim, S. - T. , King, R. P. , Baik, M. - H. , and Buchwald, S. L. “Studying Regioisomer Formation in the Pd-Catalyzed Fluorination of Cyclic Vinyl Triflates: Evidence for in situ Ligand Modification”, Angew. Chem. Int. Ed., 2023, 62(15), e202300109.

Evidence for Simultaneous Dearomatization of Two Aromatic Rings Under Mild Conditions in Cu(I)-Catalyzed Direct Asymmetric Dearomatization of Pyridine

M. W. Gribble, Liu, R. Y. , and Buchwald, S. L. “Evidence for Simultaneous Dearomatization of Two Aromatic Rings Under Mild Conditions in Cu(I)-Catalyzed Direct Asymmetric Dearomatization of Pyridine”, J. Am. Chem. Soc., 2020, 142(25), 11252-11269.

Pd-Catalyzed C–N Coupling Reactions Facilitated by Organic Bases: Mechanistic Investigation Leads to Enhanced Reactivity in the Arylation of Weakly Binding Amines

J. M. Dennis, White, N. A. , Liu, R. Y. , and Buchwald, S. L. “Pd-Catalyzed C–N Coupling Reactions Facilitated by Organic Bases: Mechanistic Investigation Leads to Enhanced Reactivity in the Arylation of Weakly Binding Amines”, ACS Catalysis, 2019, 9, 3822 - 3830.

Mechanistically Guided Design of Ligands that Significantly Improve the Efficiency of CuH-Catalyzed Hydroamination Reactions

A. A. Thomas, Speck, K. , Kevlishvili, I. , Lu, Z. , Liu, P. , and Buchwald, S. L. “Mechanistically Guided Design of Ligands that Significantly Improve the Efficiency of CuH-Catalyzed Hydroamination Reactions”, J. Am. Chem. Soc., 2018, 140 (42), 13976-13984.

Breaking the Base Barrier: An Electron-Deficient Palladium Catalyst Enables the Use of a Common, Soluble Base in C–N Coupling

J. M. Dennis, White, N. A. , Liu, R. Y. , and Buchwald, S. L. “Breaking the Base Barrier: An Electron-Deficient Palladium Catalyst Enables the Use of a Common, Soluble Base in C–N Coupling”, J. Am. Chem. Soc., 2018, 140(13), 4721–4725.

CuH-Catalyzed Asymmetric Reduction of α,β-Unsaturated Carboxylic Acids to β-Chiral Aldehydes

Y. Zhou, Bandar, J. S. , Liu, R. Y. , and Buchwald, S. L. “CuH-Catalyzed Asymmetric Reduction of α,β-Unsaturated Carboxylic Acids to β-Chiral Aldehydes”, J. Am. Chem. Soc, 2018, 140, 606-609.

Ligand-Substrate Dispersion Facilitates the Copper-Catalyzed Hydroamination of Unactivated Olefins

G. Lu, Liu, R. Y. , Yang, Y. , Fang, C. , Lambrecht, D. S. , Buchwald, S. L. , and Liu, P. “Ligand-Substrate Dispersion Facilitates the Copper-Catalyzed Hydroamination of Unactivated Olefins”, J. Am. Chem. Soc, 2017, 139(46), 16548–16555.

Mechanistic Insight Leads to a Ligand That Facilitates the Pd-Catalyzed Formation of 2-(Hetero)Arylaminooxazoles and 4-(Hetero)Arylaminothiazoles

E. P. K. Olsen, Arrechea, P. L. , and Buchwald, S. L. “Mechanistic Insight Leads to a Ligand That Facilitates the Pd-Catalyzed Formation of 2-(Hetero)Arylaminooxazoles and 4-(Hetero)Arylaminothiazoles”, Angew. Chem. Int. Ed., 2017, 56, 10569-10572.

Regiodivergent and Diastereoselective CuH-Catalyzed Allylation of Imines with Terminal Allenes

R. Y. Liu, Yang, Y. , and Buchwald, S. L. “Regiodivergent and Diastereoselective CuH-Catalyzed Allylation of Imines with Terminal Allenes”, Angew. Chem. Int. Ed., 2016, 55(45), 14077-14080.

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