Search results for "carbene"

showing 10 items of 152 documents

[Au(9-methylcaffein-8-ylidene) 2 ] + /DNA Tel23 System: Solution, Computational, and Biological Studies

2017

International audience; Physicochemical methods have been used to investigate interactions occurring in solution between the dicarbene gold(I) complex [Au(9‐methylcaffein‐8‐ylidene)2]BF4 (AuNHC) and a human telomeric DNA sequence, namely Tel23. Circular dichroism measurements allow identification of the conformational changes experienced by Tel23 upon interaction with AuNHC, and the respective binding stoichiometries and constants were determined. Computational studies provide a good link between previous crystallographic results of the same system and the present solution data, offering an exhaustive description of the inherent noncovalent metallodrug–DNA interactions. Remarkably, we found…

0301 basic medicineCircular dichroismSequence (biology)G-quadruplextelomerasehuman telomeric dnaCatalysisantitumor agentsk+ solutionAdductg-quadruplex structures03 medical and health sciencesMolecular dynamicschemistry.chemical_compoundanticancer agentsDNA structuresgold carbenes[CHIM]Chemical SciencesBinding sitechemistry.chemical_classificationcomplexesdensityligand-bindingChemistryOrganic Chemistrystructural basisGeneral ChemistrysequenceCombinatorial chemistryG-quadruplexescircular dichroismcircular-dichroism030104 developmental biologyEnzymeDNA
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Determinants for Tight and Selective Binding of a Medicinal Dicarbene Gold(I) Complex to a Telomeric DNA G-Quadruplex: a Joint ESI MS and XRD Investi…

2016

International audience; The dicarbene gold(I) complex [Au(9-methylcaffein-8-ylidene)(2)]BF4 is an exceptional organometallic compound of profound interest as a prospective anticancer agent. This gold(I) complex was previously reported to be highly cytotoxic toward various cancer cell lines invitro and behaves as a selective G-quadruplex stabilizer. Interactions of the gold complex with various telomeric DNA models have been analyzed by a combined ESI MS and X-ray diffraction (XRD) approach. ESI MS measurements confirmed formation of stable adducts between the intact gold(I) complex and Tel 23 DNA sequence. The crystal structure of the adduct formed between [Au(9-methylcaffein-8-ylidene)(2)]…

0301 basic medicineSpectrometry Mass Electrospray IonizationESI mass spectrometryStereochemistryElectrospray ionizationStackingESI mass spectrometry; G-quadruplexes; X-ray diffraction; cancer; gold[SDV.CAN]Life Sciences [q-bio]/CancerCrystal structurepotential anticancer agents010402 general chemistryG-quadruplex01 natural sciences[ CHIM ] Chemical SciencesCatalysisAdduct[ SDV.CAN ] Life Sciences [q-bio]/Cancerchemistry.chemical_compound03 medical and health sciencescancer[CHIM]Chemical SciencesChemistry010405 organic chemistryloop flexibilityapoptosiscrystal-structureGeneral ChemistryGeneral MedicineTelomeregoldG-quadruplexesinhibition3. Good health0104 chemical sciencesX-ray diffractionstabilizationcarbene complexessmall molecules030104 developmental biologypancreatic-cancer cellsX-ray crystallographySelectivityDNAmetal-complexes
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N-Heterocyclic Carbene Catalyzed [3+2] Cycloaddition of Enals with Masked Cinnamates for the Asymmetric One-Pot Synthesis of Adipic Acid Derivatives.

2017

A novel short entry to 3,4-disubstituted adipic acids has been developed by employing an asymmetric NHC-catalyzed [3+2] cycloaddition of enals with masked cinnammates in moderate to good yields and high stereoselectivities. The synthetic utility of the protocol was demonstrated by the basic conversion of the masked cyclopentanone intermediates to 3S,4S-disubstituted adipic acid precursors of pharmaceutically important gababutins.

AdipatesOne-pot synthesishapotCyclopentanes010402 general chemistryCyclopentanone01 natural sciencesCatalysisCatalysischemistry.chemical_compoundOrganic chemistryCinnamatesorganocatalysista116cycloadditionadipic acidAdipic acidCycloaddition ReactionMolecular Structure010405 organic chemistryOrganic ChemistrygababutinsStereoisomerismGeneral ChemistryCycloaddition0104 chemical scienceschemistryCinnamatesOrganocatalysisorgaaninen kemiaCarbeneN-heterocyclic carbeneMethaneChemistry (Weinheim an der Bergstrasse, Germany)
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Measuring the Relative Reactivity of the Carbon-Hydrogen Bonds of Alkanes as Nucleophiles

2018

We report quantitative measurements of the relative reactivities of a series of C-H bonds of gaseous or liquid CnH2n+2 alkanes (n = 1-8, 29 different C-H bonds) towards insitu generated electrophiles (copper, silver, and rhodium carbenes), with methane as the reference. This strategy surpasses the drawback of previous model reactions of alkanes with strong electrophiles suffering from C-C cleavage processes, which precluded direct comparison of the relative reactivities of alkane C-H bonds.

Alkanechemistry.chemical_classificationC-H bond functionalization010405 organic chemistryHydrogen bondNucleophilicitychemistry.chemical_elementGeneral MedicineGeneral Chemistry010402 general chemistry01 natural sciencesMedicinal chemistryCatalysis0104 chemical scienceschemistryNucleophileAlkanes[CHIM.COOR]Chemical Sciences/Coordination chemistryReactivity (chemistry)ElectrophilicityCarbonMetal carbene complexes
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Favoring alkane primary carbon-hydrogen bond functionalization in supercritical carbon dioxide as reaction medium

2019

The selectivity of a catalytic alkane functionalization process can be modified just changing the reaction medium from neat alkane to supercritical carbon dioxide (scCO2). A silica supported copper complex bearing an Nheterocyclic carbene ligand promotes the functionalization of carbon-hydrogen bonds of alkanes by transferring the CHCO2Et group from N2=CHCO2Et (ethyl diazoacetate, EDA). In neat hexane only 3% of the primary C-H bonds (ethyl heptanoate being the product) are functionalized in that manner, whereas the same reaction carried out in scCO2 provides a 30% yield in this linear ester. Such effect seems to be induced by an electronic density flux from the NHC ligand to the surroundin…

Alkanechemistry.chemical_classificationSupercritical carbon dioxideRenewable Energy Sustainability and the EnvironmentGeneral Chemical EngineeringAlkaneCarbon–hydrogen bond activation02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesCatalysisHexanechemistry.chemical_compoundchemistryEthyl diazoacetateCarbon dioxidePolymer chemistryEnvironmental Chemistry0210 nano-technologyCarbon-hydrogenCarbeneEthyl heptanoate
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Low-loading asymmetric organocatalysis

2011

Asymmetric organocatalysis is now recognized as the third pillar of asymmetric synthesis. Recent years have witnessed increasing interest towards the use of highly active and stereoselective organocatalysts. This critical review documents the advances in the development of chiral organocatalysts which are systematically used in ≤3 mol% loading in all the sub-areas of the field, namely aminocatalysis, Brønsted acids and bases, Lewis acids and bases, hydrogen bond-mediated catalysis, phase transfer and N-heterocyclic carbene catalyses (194 references).

AminocatalysisMolecular StructureOrganic chemicalsBronsted BaseEnantioselective synthesisPillarSettore CHIM/06 - Chimica OrganicaGeneral ChemistryCatalysisBronsted acidCatalysisoragnocatalysichemistry.chemical_compoundchemistryphase-transfer catalysiOrganocatalysisOrganic chemistryLewis acids and basesOrganic ChemicalsBrønsted–Lowry acid–base theoryCarbeneChem. Soc. Rev.
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N-Heterocyclic Carbene-Catalyzed Activation of α-Chloroaldehydes: Asymmetric Synthesis of 5-Cyano-Substituted Dihydropyranones

2017

An N-heterocyclic carbene (NHC)-catalyzed asymmetric [4+2] annulation of (E)-2-benzoyl-3-phenylacrylonitriles with α-chloroaldehydes has been developed. The protocol leads to 5-cyano-substituted dihydropyranones in good to excellent yields with excellent diastereo- and enantioselectivities (up to 93% yield, >20:1 d.r. and 99% ee).

Annulation010405 organic chemistryChemistryOrganic ChemistryEnantioselective synthesis010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesCatalysischemistry.chemical_compoundOrganocatalysisYield (chemistry)Organic chemistryCarbeneSynthesis
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N‐Heterocyclic Carbene Catalyzed [4+2] Annulation of Enals via a Double Vinylogous Michael Addition: Asymmetric Synthesis of 3,5‐Diaryl Cyclohexenones

2017

A strategy for the N-heterocyclic carbene (NHC) catalyzed asymmetric synthesis of 3,5-diaryl substituted cyclohexenones has been developed via oxidative [4+2] annulation of enals and alkenylisoxazoles. It is the first example of using NHC organocatalysis in a double vinylogous Michael type reaction, a challenging but highly desirable topic. This unprecedented protocol affords good yields as well as high to excellent diastereo- and enantioselectivities.

Annulation010405 organic chemistryChemistryStereochemistryEnantioselective synthesisGeneral MedicineGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesCatalysischemistry.chemical_compoundOrganocatalysisMichael type reactionMichael reactionta116N-heterocyclic carbeneCarbeneAngewandte Chemie International Edition
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N-Heterocyclic Carbene Catalyzed Asymmetric Synthesis of Dihydropyranothiazoles­ via Azolium Enolate Intermediates

2017

A highly diastereo- and enantiostereoselective synthesis of bicyclic dihydropyranothiazoles combining a thiazole and δ-lactone skeleton via NHC-catalyzed [4+2] annulation of 5-alkenylthiazolones and α-chloroaldehydes has been developed. The heterocyclic products are formed via azolium enolate intermediates in good yields with high diastereo- and enantistereoselectivities.

AnnulationBicyclic molecule010405 organic chemistryStereochemistryOrganic ChemistryEnantioselective synthesis010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesCatalysischemistry.chemical_compoundchemistryOrganocatalysisThiazoleCarbeneSynthesis
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Novel [6]- and [7]Helicene-Like Quinones via Mono- and Bidirectional Chromium-Templated Benzannulation of Bridged Binaphthyl Carbene Complexes

2005

A new organometallic approach to novel, functionalised, helicene-like quinones and bisquinones has been developed based on the chromium-templated [3+2+1] benzannulation reaction. The [5]helicene-analogous monocarbene chromium complexes 4, 5, 17 and 19, derived from dibromo-substituted methylene- or silylene-tethered binaphthols 2 and 3, react with various alkynes to give [6]helicene-like quinones 6–13 and 20–29 after oxidative work-up. A rare competition of angular vs. linear annulation is observed for the incorporation of phenylacetylene that affords quinones 21/22 and 28/29. Protection of the phenolic benzannulation product with camphanic acid chloride 14, followed by chromatographic sepa…

AnnulationChemistryStereochemistryArylOrganic ChemistryCrystal structureMedicinal chemistrychemistry.chemical_compoundEnantiopure drugHelicenePhenylacetylenePhysical and Theoretical ChemistryMethyleneCarbeneEuropean Journal of Organic Chemistry
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