ACS Catalysis · 2022 · 10 citations · 38 references
Natural SciencesChemistryMedicinal ChemistryCatalysisComputational ChemistryOrganic ChemistryCatalytic MechanismsLigand BindingLigand-based DesignAsymmetric SynthesisChiral Catalyst DesignEnantioselective SynthesisEnantioselectivityLactam SynthesisLigand Design
Described herein is a highly enantioselective route to β-quaternary δ-lactams by palladium/pyridine-dihydroisoquinoline (PyDHIQ)-catalyzed conjugate arylations. Notably, the effect of π-interactions on the high enantioselectivity was elucidated by DFT calculations and noncovalent interaction (NCI) analysis. The skeleton of the PyDHIQ ligand plays a key role in the formation of attractive noncovalent interactions with substrates in an enantioselectivity-determining step. The developed methodology was successfully applied to the asymmetric formal synthesis of (−)-picenadol.
38
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations
Revealing Noncovalent Interactions
Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 9.3K citations
Corentin Lefebvre, Gaëtan Rubez, Hassan Khartabil et al. · Physical Chemistry Chemical Physics · 2017 · 1.8K citations · Full text
Natural Sciences, Chemistry, Physics +14