Search results for "Umpolung"

showing 10 items of 14 documents

Nucleophilic benzoylation using lithiated methyl mandelate as a synthetic equivalent of the benzoyl carbanion. Oxidative decarboxylation of α-hydroxy…

2001

Abstract The synthesis of alkyl aryl ketones using lithiated methyl mandelate as a synthetic equivalent of the benzoyl carbanion is reported (Umpolung). The methodology involves alkylation of methyl mandelate, hydrolysis of the ester group and oxidative decarboxylation of the resulting α-hydroxyacids. The last step is carried out in a catalytic aerobic way using a Co(III) complex in the presence of pivalaldehyde under very mild and advantageous conditions. The procedure is also applied to methyl mandelates substituted on the aromatic ring.

chemistry.chemical_classificationDecarboxylationArylOrganic ChemistryAlkylationBiochemistryMedicinal chemistryUmpolungchemistry.chemical_compoundchemistryNucleophileDrug DiscoveryOxidative decarboxylationAlkylCarbanionTetrahedron
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Investigation of the aqueous transmetalation of π-allylpalladium with indium salt: the use of the Pd(OAc)2–TPPTS catalyst

2005

pi-Allylpalladium complexes could be generated in water by the palladium(0) water soluble catalyst prepared in situ from palladium acetate and TPPTS. These complexes were transmetalated with indium to react with benzaldehyde. The aqueous solution of Pd(0)(TPPTS)(n) could be reused without deterioration of the catalyst in the first and second recycling. The system proved to be efficient with primary and secondary allylic substrates. The stereochemical outcome of the allylation through umpolung of allylpalladium, was also studied using models with a restraint conformation.

Allylic rearrangementInorganic chemistrychemistry.chemical_elementBiochemistryUmpolungCatalysisBenzaldehydeTransmetalationchemistry.chemical_compoundBARBIER-TYPE ALLYLATIONSORGANOMETALLIC REACTIONSPolymer chemistryWATERPhysical and Theoretical ChemistryTPPTSSIALIC-ACIDAqueous solutionIN-SITUOrganic ChemistryMEDIATED ALLYLATIONCARBONYL-COMPOUNDSALCOHOLSREGIOSELECTIVITYORGANIC-SYNTHESISSettore CHIM/06 - Chimica OrganicachemistryPalladiumOrg. Biomol. Chem.
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Understanding the Mechanism of the Intramolecular Stetter Reaction. A DFT Study

2012

The mechanism of the N-heterocyclic carbene (NHC)-catalyzed intramolecular Stetter reaction of salicylaldehyde 1 to yield chromanone 3 has been theoretically studied at the B3LYP/6-31G** level. This NHC-catalyzed reaction takes place through six elementary steps, which involve: (i) formation of the Breslow intermediate IN2; (ii) an intramolecular Michael-Type addition in IN2 to form the new C-C s bond; and (iii) extrusion of the NHC catalyst from the Michael adduct to yield chromanone 3. Analysis of the relative free energies in toluene indicates that while formation of Breslow intermediate IN2 involves the rate-determining step of the catalytic process, the intramolecular Michael-type addi…

Models MolecularStereochemistryPharmaceutical Scienceintramolecular Stetter reactionDFT calculationsArticleCatalysisAnalytical ChemistryStereocenterCatalysislcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryComputational chemistryHeterocyclic CompoundsDrug Discoveryintramolecular Michael additionorganocatalysisN-heterocyclic carbenesPhysical and Theoretical ChemistrymechanismsChemistryOrganic ChemistryStetter reactionorganocatalysis; <em>N</em>-heterocyclic carbenes; <em>umpolung</em> reactivity; intramolecular Stetter reaction; intramolecular Michael addition; mechanisms; DFT calculationsSalicylaldehydeChemistry (miscellaneous)Yield (chemistry)OrganocatalysisIntramolecular forceumpolung reactivityMolecular MedicineCarbeneMethaneMolecules
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Synthesis of Functionalized Indoles with an α-Stereogenic Ketone Moiety Through an Enantioselective Friedel-Crafts Alkylation with (E)-1,4-Diaryl-2-b…

2009

Chiral complexes of BINOL-based ligands with hafnium tert-butoxide catalyze the enantioselective Friedel-Crafts alkylation of indoles with (E)-1,4-diaryl-2-butene-1,4-diones at room temperature, with good yields and ee up to 94%. Hafnium(IV) was found to be a more effective Lewis acid than other frequently used metal ions such as titanium(IV) or zirconium(IV). Unlike the enantioselective Friedel-Crafts alkylation of indoles with α,β-unsaturated compounds where the stereogenic center is generated in the β-position to a carbonyl group, the Friedel-Crafts alkylation with 2-butene-1,4-diones described here generates an α-stereogenic center with respect to one of the carbonyl groups. This can be…

chemistry.chemical_classificationKetonechemistryEnantioselective synthesisMoietyOrganic chemistryGeneral ChemistryLewis acids and basesAlkylationFriedel–Crafts reactionMedicinal chemistryStereocenterUmpolungAdvanced Synthesis &amp; Catalysis
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Synthesis of (–)-(S)-Norlaudanosine, (+)-(R)-O,O-Dimethylcoclaurine, and (+)-(R)-Salsolidine by Alkylation of an α-Aminonitrile

2007

A short asymmetric synthesis of 1-substituted 1,2,3,4-tetrahydroisoquinoline alkaloids by deprotonation of an unprotected α-aminonitrile and alkylation of the resulting carbanion followed by spontaneous elimination of HCN and asymmetric reduction is described. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)

DeprotonationSalsolidineStereochemistryChemistryOrganic ChemistryEnantioselective synthesisPhysical and Theoretical ChemistryAlkylationCarbanionUmpolungEuropean Journal of Organic Chemistry
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Modular synthesis of tetrasubstituted imidazoles and trisubstituted oxazoles by aldimine cross-coupling.

2008

Couplingchemistry.chemical_classificationAldimineChemistryStereochemistryOrganic ChemistryImidazolesGeneral ChemistryCrystallography X-RayCatalysisUmpolungC c couplingCyclizationIminesOxazolesCarbanionChemistry (Weinheim an der Bergstrasse, Germany)
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An Aldimine Cross-Coupling for the Diastereoselective Synthesis of Unsymmetrical 1,2-Diamines

2005

Coupling (electronics)chemistry.chemical_classificationCouplingAldimineC c couplingchemistryStereochemistryPolymer chemistryGeneral MedicineGeneral ChemistryCatalysisUmpolungCarbanionAngewandte Chemie International Edition
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ChemInform Abstract: Synthesis of Functionalized Indoles with an α-Stereogenic Ketone Moiety Through an Enantioselective Friedel-Crafts Alkylation wi…

2010

Chiral complexes of BINOL-based ligands with hafnium tert-butoxide catalyze the enantioselective Friedel-Crafts alkylation of indoles with (E)-1,4-diaryl-2-butene-1,4-diones at room temperature, with good yields and ee up to 94%. Hafnium(IV) was found to be a more effective Lewis acid than other frequently used metal ions such as titanium(IV) or zirconium(IV). Unlike the enantioselective Friedel-Crafts alkylation of indoles with α,β-unsaturated compounds where the stereogenic center is generated in the β-position to a carbonyl group, the Friedel-Crafts alkylation with 2-butene-1,4-diones described here generates an α-stereogenic center with respect to one of the carbonyl groups. This can be…

chemistry.chemical_classificationKetoneChemistryEnantioselective synthesisMoietyGeneral MedicineLewis acids and basesAlkylationMedicinal chemistryFriedel–Crafts reactionStereocenterUmpolungChemInform
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ChemInform Abstract: Nucleophilic Benzoylation Using Lithiated Methyl Mandelate as a Synthetic Equivalent of the Benzoyl Carbanion. Oxidative Decarbo…

2010

Abstract The synthesis of alkyl aryl ketones using lithiated methyl mandelate as a synthetic equivalent of the benzoyl carbanion is reported (Umpolung). The methodology involves alkylation of methyl mandelate, hydrolysis of the ester group and oxidative decarboxylation of the resulting α-hydroxyacids. The last step is carried out in a catalytic aerobic way using a Co(III) complex in the presence of pivalaldehyde under very mild and advantageous conditions. The procedure is also applied to methyl mandelates substituted on the aromatic ring.

chemistry.chemical_classificationchemistry.chemical_compoundNucleophileChemistryArylOrganic chemistryGeneral MedicineAlkylationAlkylOxidative decarboxylationUmpolungCatalysisCarbanionChemInform
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One-Pot Synthesis of Trisubstituted 1,2-Amino Alcohols from Deprotonated α-Amino Nitriles

2008

A short synthesis of N,1,2-trisubstituted vicinal amino alcohols by 1,2-addition of deprotonated N-monosubstituted α-amino nitriles to aldehydes and subsequent one-pot reduction of the intermediates with borane–THF is described. This procedure leads to the predominant formation of the anti-configured products. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

DeprotonationChemistryOrganic ChemistryOne-pot synthesisOrganic chemistryAmino nitrilesPhysical and Theoretical ChemistryVicinalUmpolungEuropean Journal of Organic Chemistry
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