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showing 10 items of 196 documents

C-H Bond Arylation of Pyrazoles at the β-Position: General Conditions and Computational Elucidation for a High Regioselectivity

2021

International audience; Direct arylation of most five-membered ring heterocycles are generally easily accessible and strongly favored at the α-position using classical palladium-catalysis. Conversely, regioselective functionalization of such heterocycles at the concurrent β-position remains currently very challenging. Herein, we report general conditions for regioselective direct arylation at the β-position of pyrazoles, while C-H α-position is free. By using aryl bromides as the aryl source and a judicious choice of solvent, the arylation reaction of variously N-substituted pyrazoles simply proceeds via β-C-H bond functionalization. The β-regioselectivity is promoted by a ligand-free palla…

chemistry.chemical_element010402 general chemistryRing (chemistry)01 natural sciencesCatalysischemistry.chemical_compoundbeta-C−H arylationsolvent effectcatalysis010405 organic chemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryArylOrganic ChemistryRegioselectivityGeneral Chemistry[CHIM.CATA]Chemical Sciences/CatalysispalladiumCombinatorial chemistry0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrychemistryIntramolecular forceSolvent effectsProtic solventPalladiumheterocycle
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Cobalt−NHC Catalyzed C(sp2)−C(sp3) and C(sp2)−C(sp2) Kumada Cross‐Coupling of Aryl Tosylates with Alkyl and Aryl Grignard Reagents

2021

The first cobalt‐catalyzed cross‐coupling of aryl tosylates with alkyl and aryl Grignard reagents is reported. The catalytic system uses CoF3 and NHCs (NHC=N‐heterocyclic carbene) as ancillary ligands. The reaction proceeds via highly selective C−O bond functionalization, leading to the corresponding products in up to 98 % yield. The employment of alkyl Grignard reagents allows to achieve a rare C(sp2)−C(sp3) cross‐coupling of C−O electrophiles, circumventing isomerization and β‐hydride elimination problems. The use of aryl Grignards leads to the formation of biaryls. The C−O cross‐coupling sets the stage for a sequential cross‐coupling by exploiting the orthogonal selectivity of the cataly…

C(sp2)−C(sp3) cross-couplingcross-couplingC−O activationsustainabilitycobalt catalysisChemcatchem
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How Many Phosphoric Acid Units Are Required to Ensure Uniform Occlusion of Sterically Stabilized Nanoparticles within Calcite?

2019

Polymerization-induced self-assembly (PISA) mediated by reversible addition-fragmentation chain transfer (RAFT) polymerization offers a platform technology for the efficient and versatile synthesis of well-defined sterically stabilized block copolymer nanoparticles. Herein we synthesize a series of such nanoparticles with tunable anionic charge density within the stabilizer chains, which are prepared via statistical copolymerization of anionic 2-(phosphonooxy)ethyl methacrylate (P) with non-ionic glycerol monomethacrylate (G). Systematic variation of the P/G molar ratio enables elucidation of the minimum number of phosphate groups per copolymer chain required to promote nanoparticle occlusi…

010405 organic chemistryNanoparticleChain transferGeneral ChemistryRaftGeneral Medicine010402 general chemistryMethacrylate01 natural sciencesCatalysis0104 chemical scienceschemistry.chemical_compoundchemistryPolymerizationChemical engineeringCopolymerReversible addition−fragmentation chain-transfer polymerizationPhosphoric acidAngewandte Chemie
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SBA-15/POSS-Imidazolium Hybrid as Catalytic Nanoreactor

2019

Supported imidazolium modified polyhedral oligomeric silsesquioxanes (POSS) on SBA-15 have been used as platform for Pd(II) species. The so-obtained material was firstly characterized by means of TGA, solid state NMR, TEM, XPS, SAXS, porosimetry and ICP-OES and it was successfully tested as pre-catalyst in C−C cross couplings, namely Suzuki-Miyaura and Heck reactions. In both cases, the solid proved to be highly efficient and easily recoverable from the reaction mixture. The recyclability was verified for up to seven cycles without showing any activity decrease. Interestingly, only Pd(II) was detected in the reused catalyst in the Heck reaction. Therefore, the versatility of the material w…

ChemistryC−C couplingchemistry.chemical_elementGeneral ChemistryNanoreactorSettore CHIM/06 - Chimica OrganicaHeterogeneous catalysispalladiumCoupling reactionCatalysisC c couplingHeck reactionheterogeneous catalysisHeck reactionPolymer chemistryheterogeneous catalysiSuzuki-Miyaura reactionPalladiumAdvanced Synthesis and Catalysis
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Developments in the dehydrogenative electrochemical synthesis of 3,3′,5,5′-tetramethyl-2,2′-biphenol

2021

Abstract The symmetric biphenol 3,3′,5,5′‐tetramethyl‐2,2′‐biphenol is a well‐known ligand building block and is used in transition‐metal catalysis. In the literature, there are several synthetic routes for the preparation of this exceptional molecule. Herein, the focus is on the sustainable electrochemical synthesis of 3,3′,5,5′‐tetramethyl‐2,2′‐biphenol. A brief overview of the developmental history of this inconspicuous molecule, which is of great interest for technical applications, but has many challenges for its synthesis, is provided. The electro‐organic method is a powerful, sustainable, and efficient alternative to conventional synthesis to obtain this symmetric biphenol up to the …

Green chemistry540 Chemistry and allied sciencespolycycles010405 organic chemistryChemistryoxidationOrganic ChemistryC−C couplingMinireviewsGeneral Chemistry010402 general chemistryElectrochemistry01 natural sciencesCombinatorial chemistryCatalysis0104 chemical sciencesC c couplingelectrochemistry540 Chemiesustainable chemistryMinireviewC−C Coupling | Reviews Showcase
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Cyclodextrins in polymer synthesis: polymerization of methyl methacrylate under atom-transfer conditions (ATRP) in aqueous solution

2000

Host guest complexes of methyl methacrylate (MMA) and randomly methylated β-cyclodextrin (m-β-CD, 1 a) were polymerized in aqueous medium using atom-transfer radical polymerization. Ethyl 2-bromoisobutyrate (EBIB) was used as an initiator, copper(I) bromide as the catalyst, and bipyridine (bipy) or 4,4′-di-(5-nonyl)-2,2´-bipyridine (dNbipy) as ligands. The unthreading of m-β-CD during the polymerization led to water-insoluble poly(methyl methacrylate) (PMMA). It was found that using dNbipy resulted in higher monomer conversion than using bipy as the ligand under similar conditions. Furthermore, it is shown that the polymerization of MMA under these conditions has a living character. The pol…

Polymers and PlasticsChemistryOrganic ChemistryRadical polymerizationPhotochemistryLiving free-radical polymerizationchemistry.chemical_compoundEnd-groupChain-growth polymerizationPolymerizationPolymer chemistryMaterials ChemistryReversible addition−fragmentation chain-transfer polymerizationMethyl methacrylateIonic polymerizationMacromolecular Rapid Communications
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Du sens à l'expérience : gastronomie et œnologie au prisme de leurs terminologies : [actes du 2ème colloque international "Les terminologies professi…

2018

National audience; Entre expérience sensorielle, sensible et symbolique, cet ouvrage nous convie à un voyage particulier où se jouent les interactions de toute nature qui accompagnent les moments de notre existence. De la langue au langage, des perceptions aux émotions, de la culture à la nature ou de la suggestion à la relation, le discours gastronomique et øenologique construit un imaginaire en s'appuyant sur des fragments de réalité qu'il tend à comprendre et analyser.

Discours gastronomiqueGastronomie − Terminologie − Actes de congrès[SHS] Humanities and Social SciencesVin − Dégustation − Terminologie − Actes de congrèsDiscours oenologique[SHS]Humanities and Social Sciences
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Well-defined carbohydrate-based polymers in calcium carbonate crystallization: Influence of stereochemistry in the polymer side chain on polymorphism…

2015

Abstract In this work we demonstrate the remarkable phase control on the crystallization of calcium carbonate by the stereochemistry of carbohydrate-based polymers. The polymers (poly(2-(2,3,4,6-tetra-O-acetyl-β- d -glucosyloxy)ethyl methacrylate) and poly(2-(2,3,4,6-tetra-O-acetyl-β- d -galactosyloxy)ethyl methacrylate)) have been synthesized from the respective glucose or galactose containing monomers (3 step synthesis) by RAFT polymerization leading to well-defined carbohydrate-based polymers with number averages of the molecular weights (Mw) of 10,000–18,000 g/mol and a dispersities (Đ) from 1.1 to 1.2. For the deprotected polymers we found differences in the phase selection of calcium …

chemistry.chemical_classificationMaterials sciencePolymers and PlasticsStereochemistryOrganic ChemistryGeneral Physics and AstronomyPolymerMethacrylatelaw.inventionchemistry.chemical_compoundCalcium carbonateMonomerchemistryPolymorphism (materials science)lawPolymer chemistryMaterials ChemistrySide chainOrganic chemistryReversible addition−fragmentation chain-transfer polymerizationCrystallizationEuropean Polymer Journal
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Block copolymers from ionic liquids for the preparation of thin carbonaceous shells

2017

This paper describes the controlled radical polymerization of an ionic-liquid monomer by RAFT polymerization. This allows the control over the molecular weight of ionic liquid blocks in the range of 8000 and 22000 and of the block-copolymer synthesis. In this work we focus on block copolymers with an anchor block. They can be used to control the formation of TiO2 nanoparticles, which are functionalized thereafter with a block of ionic-liquid polymer. Pyrolysis of these polymer functionalized inorganic nanoparticles leads to TiO2 nanoparticles coated with a thin carbonaceous shell. Such materials may, e.g., be interesting as battery materials.

polymeric ionic liquidRadical polymerizationblock copolymer02 engineering and technology010402 general chemistry01 natural sciencesFull Research Paperlcsh:QD241-441chemistry.chemical_compoundlcsh:Organic chemistryPolymer chemistryCopolymerReversible addition−fragmentation chain-transfer polymerizationlcsh:Scienceionic liquidchemistry.chemical_classificationRAFT polymerizationcarbonOrganic ChemistryPolymer021001 nanoscience & nanotechnologyBlock (periodic table)0104 chemical sciencesChemistryMonomerchemistryIonic liquidlcsh:Q0210 nano-technologyPyrolysisBeilstein Journal of Organic Chemistry
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Elementary presentation of self‐consistent intermediate Hamiltonians and proposal of two totally dressed singles and doubles configuration interactio…

1994

Intermediate Hamiltonians are effective Hamiltonians which are defined on an N‐dimensional model space but which only provide n<N exact eigenvalues and the projections of the corresponding eigenvectors onto the model space. For a single root research, the intermediate Hamiltonian may be obtained from the restriction of the Hamiltonian to the model space by an appropriate, uniquely defined dressing of the diagonal energies or of the first column. Approximate self‐consistent dressings may be proposed. The simplest perturbative form gives the same result as the original 2nd order intermediate Hamiltonian or the ‘‘shifted Bk’’ technique but it is of easier implementation. Self‐consistent inclus…

HamiltoniansHamiltonians ; Configuration Interaction ; Scf Calculations ; Eigenvalues ; Eigenvectors ; Degeneration ; Many−Body Problem ; Electronic StructureDiagonalGeneral Physics and AstronomyElectronic structureMany−Body ProblemMany-body problemsymbols.namesakePauli exclusion principleQuantum mechanicsPhysical and Theoretical Chemistry:FÍSICA::Química física [UNESCO]Eigenvalues and eigenvectorsMathematical physicsMathematicsDegenerate energy levelsEigenvaluesScf CalculationsConfiguration interactionUNESCO::FÍSICA::Química físicaConfiguration InteractionElectronic StructureDegenerationsymbolsEigenvectorsHamiltonian (quantum mechanics)The Journal of Chemical Physics
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