Advanced Synthesis & Catalysis · 2007 · 66 citations · 38 references
Natural SciencesChemistryCatalysisOrganic ChemistryStructure-activity RelationshipsChiral SeparationOrganic SynthesisAsymmetric SynthesisCircular DichroismCircular Dichroism AnalysisEnantioselective SynthesisIsomerization CatalysisOxidative Coupling
Abstract An enantioselective synthesis of the chiral bisnaphthopyrone natural product nigerone and its enantiomer, ent ‐nigerone, has been realized. The use of constrained 2‐naphthol substrates was critical to producing highly functionalized chiral 1,1′‐binaphthols via asymmetric oxidative biaryl coupling with 1,5‐diaza‐ cis ‐decalin copper complexes. The final natural product was formed via a key eight‐step isomerization process of the coupling product, bisisonigerone, and proceeded with retention of the biaryl configuration. The axial configurations of bisisonigerone and nigerone were definitively established by a combination of circular dichroism (CD) measurements and quantum chemical CD calculations.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
A new mixing of Hartree–Fock and local density-functional theories
Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations
Natural Sciences, Chemistry, Physics +11