NMR spectroscopic characterization and DFT calculations of zirconium(IV)-3,3′-Br2a-BINOLate and related complexes used in an enantioselective friedela-crafts alkylation of indoles with α,β-unsaturated ketones

Journal of Organic Chemistry

Volumn 77, Issue 23, 2012, Pages 10545-10556

  Blay, Gonzalo ^a   Cano, Joan ^a   Cardona, Luz ^a   Fernández, Isabel ^a   Muñoz, M Carmen ^b   Pedro, José R ^a   Vila, Carlos ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BINAPHTHOL; BRIDGING LIGANDS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DIMERIC STRUCTURE; ENANTIOSELECTIVE; METAL CENTERS; MODE OF ACTION; MONOMERIC STRUCTURES; PLAUSIBLE MECHANISMS; ROOM TEMPERATURE; SPECTROSCOPIC CHARACTERIZATION; SPECTROSCOPIC STUDIES; THEORETICAL STUDY; UNSATURATED KETONES;

ALKYLATION; CATALYSTS; DENSITY FUNCTIONAL THEORY; DYES; ENANTIOSELECTIVITY; HAFNIUM; KETONES; LIGANDS; ORGANIC COMPOUNDS; PHENOLS; SPECTROSCOPIC ANALYSIS; STEREOCHEMISTRY;

ZIRCONIUM;

2,2' DIHYDROXY 1,1' BINAPHTHYL; DIMER; ENONE; INDOLE DERIVATIVE; KETONE; LIGAND; MONOMER; TITANIUM DERIVATIVE; UNCLASSIFIED DRUG; ZIRCONIUM DERIVATIVE;

ALKYLATION; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CATALYSIS; CATALYST; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENANTIOSELECTIVITY; FRIEDEL CRAFTS REACTION; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON NUCLEAR MAGNETIC RESONANCE; REACTION ANALYSIS; REACTION OPTIMIZATION; ROOM TEMPERATURE; STEREOCHEMISTRY;

ALKYLATION; INDOLES; KETONES; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR STRUCTURE; NAPHTHOLS; STEREOISOMERISM; ZIRCONIUM;

EID: 84870885954     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo3013594     Document Type: Article

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