Search results for "Cycloaddition"

showing 10 items of 392 documents

UV-induced solvent free synthesis of truxillic acid–bile acid conjugates

2009

The solvent free UV-induced [2 + 2] intermolecular cycloaddition of two molecules of 3α-cinnamic acid ester of methyl lithocholate produced in 99% yield of α- and e-truxillic acid-bis(methyl lithocholate) isomers, which possess two structurally different potential binding sites. A prerequisite for this effective solid state reaction is a proper self-assembled crystal structure of the starting conjugate crystallized from acetonitrile. The crystallization of cinnamic acid ester of methyl lithocholate from acetonitrile produces two different crystalline forms (polymorphs), which is the reason for the solid state formation of two isomers of truxillic acid-bis(methyl lithocholate).

Truxillic acidOrganic ChemistryCrystal structureMedicinal chemistryCinnamic acidCycloadditionAnalytical Chemistrylaw.inventionInorganic Chemistrychemistry.chemical_compoundchemistrylawYield (chemistry)MoleculeOrganic chemistryCrystallizationAcetonitrileSpectroscopyJournal of Molecular Structure
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1H-naphtho[2,1-b]thiete and 2H-naphtho[2,3-b]thiete- synthesis and reactivity

1994

Abstract The title compounds 4 and 8 are obtained by flash vacuum pyrolysis of the corresponding hydroxymethylthionaphthols 3 and 7. Whereas 4 shows a smooth ring opening on heating, 8 is thermally stable but reacts photochemically. The different behavior is explained on the basis of an MNDO calculation. The valence isomers 4′ and 8′ represent thioquinonemethides, which are highly reactive components in [12π + 2π]cycloaddition processes (4 → 9, 10, 11; 8 → 12).

Valence (chemistry)Flash vacuum pyrolysisChemistryStereochemistryOrganic ChemistryDrug DiscoverySous videMNDOReactive componentsReactivity (chemistry)BiochemistryMedicinal chemistryCycloadditionTetrahedron Letters
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ChemInform Abstract: 1H-Naphtho(2,1-b)thiete and 2H-Naphtho(2,3-b)thiete - Synthesis and Reactivity.

2010

Abstract The title compounds 4 and 8 are obtained by flash vacuum pyrolysis of the corresponding hydroxymethylthionaphthols 3 and 7. Whereas 4 shows a smooth ring opening on heating, 8 is thermally stable but reacts photochemically. The different behavior is explained on the basis of an MNDO calculation. The valence isomers 4′ and 8′ represent thioquinonemethides, which are highly reactive components in [12π + 2π]cycloaddition processes (4 → 9, 10, 11; 8 → 12).

Valence (chemistry)Flash vacuum pyrolysisComputational chemistryChemistryMNDOReactivity (chemistry)Reactive componentsGeneral MedicineRing (chemistry)CycloadditionChemInform
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A further exploration of a nucleophilicity index based on the gas-phase ionization potentials

2008

An empirical nucleophilicity index based on the gas-phase ionization potentials has been recently shown to be useful categorizing and settling the nucleophilicity power of a series of captodative ethylenes reacting in cycloaddition reactions (L.R. Domingo, E. Chamorro, P. Perez, Journal of Organic Chemistry 73 (2008) 4615–4624). In the present work, the applicability of such model is tested within a broader series of substituted alkenes, substituted aromatic compounds and simple nucleophilic molecules. This index obtained within a Koopman’s theorem framework has been evaluated here in both gas and solution phases for several well-known nucleophiles. These results are found to be linearly co…

Work (thermodynamics)Index (economics)NucleophileSeries (mathematics)Computational chemistryChemistryIonizationElectrophileMoleculePhysical and Theoretical ChemistryCondensed Matter PhysicsBiochemistryCycloaddition
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Synthesis and high-throughput testing of multilayered supported ionic liquid catalysts for the conversion of CO2 and epoxides into cyclic carbonates

2014

Multilayered covalently supported ionic liquid phase (mlc-SILP) materials were synthesised by grafting different bis-vinylimidazolium salts on thiol-functionalised silica. These materials, which contain a cross-linked oligomeric network of imidazolium units, were characterised and tested as catalysts for the reaction of carbon dioxide with various epoxides to produce cyclic carbonates. The materials prepared by supporting a bis-imidazolium iodide salt with xylene or octane as a linker between the imidazolium units were identified as the most active catalysts and displayed high turnover numbers and improved productivity compared to known supported ionic liquid catalysts. The most promising m…

XyleneSettore CHIM/06 - Chimica OrganicaIonic liquidGraftingCatalysisCycloadditionCatalysischemistry.chemical_compoundcyclic carbonatechemistryChemical engineeringCovalent bondPhase (matter)Ionic liquidOrganic chemistryCO2Octane
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Unravelling [3+2] Cycloaddition Reactions through the Molecular Electron Density Theory

2018

Después de la primera clasificación de las reacciones 32CA en reacciones de tipo zw y pr, establecidas en el año 2014, la estructura y reactividad de los TACs más importantes utilizados en las reacciones 32CA ha sido completamente caracterizado en base a la MEDT propuesta recientemente. Entre la gran cantidad de trabajo desarrollado a lo largo de la presente tesis doctoral, se han seleccionado y discutido ocho publicaciones representativas, que permitieron caracterizar dos nuevos tipos de reactividad y consolidar la reactividad original de tipo zw. Así, dependiendo de las cuatro estructuras electrónicas diferentes de los TACs, es decir, pseudodiradical, pseudoradical, carbenoide y zwitterió…

[3+2] Cycloaddition ReactionsMolecular Electron Density TheoryMolecular MechanismsTheoretical Organic ChemistryOrganic Reactivity
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Perfluoroketene dithioacetals and perfluorodithiocarboxylic acid derivatives: Versatile tools for organofluorine synthesis

2007

Perfluoroketene dithioacetals are simple and versatile compounds that can be transformed into a large variety of trifluoromethyl derivatives, in particular aza- and thiaheterocycles, perhalodithiocrotonic esters, and fluorinated dithiol thiones. These unsaturated perfluorodithioesters and analogs give interesting polar cycloaddition reactions whose mechanism is strongly influenced by the fluorine substitution. This substitution plays an important role in the reactivity of saturated perfluorodithiocarboxylic acids as well. Except for the carbophilic addition of allyl Grignard reagents to perfluorocarboxamides, a domino thiophilic addition-fluoride elimination was the main reaction process. I…

[CHIM.MATE] Chemical Sciences/Material chemistryTrifluoromethyl010405 organic chemistry[CHIM.ORGA]Chemical Sciences/Organic chemistrychemistry.chemical_elementDithiolGeneral Chemistry[CHIM.MATE]Chemical Sciences/Material chemistry010402 general chemistry[CHIM.ORGA] Chemical Sciences/Organic chemistry01 natural sciencesCombinatorial chemistryDominoCycloaddition0104 chemical scienceschemistry.chemical_compoundchemistryCascade reactionReagentFluorineOrganic chemistryReactivity (chemistry)ComputingMilieux_MISCELLANEOUS
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Kondrat'eva ligation: Diels-Alder-based irreversible reaction for bioconjugation.

2014

International audience; Diversification of existing chemoselective ligations is required to efficiently access complex and well-defined biomolecular assemblies with unique and valuable properties. The development and bioconjugation applications of a novel Diels-Alder-based irreversible site-specific ligation are reported. The strategy is based on a Kondrat'eva cycloaddition between bioinert and readily functionalizable 5-alkoxyoxazoles and maleimides that readily react together under mild and easily tunable reaction conditions to afford a fully stable pyridine scaffold. The potential of this novel bioconjugation is demonstrated through the preparation of fluorescent conjugates of biomolecul…

[CHIM.THER]Chemical Sciences/Medicinal ChemistryLigandsCatalysis[CHIM.ANAL]Chemical Sciences/Analytical chemistryFluorescence Resonance Energy TransferOrganic chemistryNuclear Magnetic Resonance BiomolecularOxazoleschemistry.chemical_classificationBioconjugationCycloaddition ReactionMolecular Structure[CHIM.ORGA]Chemical Sciences/Organic chemistryChemistryBiomoleculeOrganic Chemistry[CHIM.CATA]Chemical Sciences/CatalysisFluorescenceUrokinase-Type Plasminogen ActivatorCycloaddition[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryEnzyme ActivationFörster resonance energy transferLigationPlasminogen activator[CHIM.CHEM]Chemical Sciences/CheminformaticsConjugateThe Journal of organic chemistry
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Modular Assembly of Multimodal Imaging Agents through an Inverse Electron Demand Diels–Alder Reaction

2019

International audience; The combination of two imaging probes on a same biomolecule gives access to targeted bimodal imaging agents that can provide more accurate diagnosis, complementary information, or that may be used in different applications, such as PET imaging and fluorescence imagingassisted surgery. In this study, we demonstrate that dichlorotetrazine, a small, commercially available compound, can be used as a modular platform to easily assemble various imaging probes. Doubly-labeled tetrazines can then be conjugated to a protein through a biorthogonal IEDDA reaction. A series of difunctionalized tetrazine compounds containing various chelating agents and fluorescent dyes was synth…

[SDV.IB.IMA]Life Sciences [q-bio]/Bioengineering/ImagingTetrazineBiomedical EngineeringContrast MediaPharmaceutical SciencebimodalBioengineeringNanotechnology02 engineering and technology[CHIM.THER]Chemical Sciences/Medicinal ChemistryMultimodal ImagingProof of Concept Study01 natural sciencesMiceAnimalsHumansInverse electron-demand Diels–Alder reactionFluorescent DyesPharmacologyMultimodal imagingchemistry.chemical_classificationCycloaddition Reaction010405 organic chemistryChemistrybusiness.industryBiomoleculeOrganic ChemistryModular design021001 nanoscience & nanotechnology0104 chemical sciencestrastuzumabProof of conceptSPECT-CTSite-specificfluorescence0210 nano-technologybusinessBiotechnology
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Synthesis of highly functionalized β-aminocyclopentanecarboxylate stereoisomers by reductive ring opening reaction of isoxazolines

2012

A rapid and simple procedure was devised for the synthesis of multifunctionalized cyclic β-amino esters and γ-amino alcohols via the 1,3-dipolar cycloaddition of nitrile oxides to β-aminocyclopentenecarboxylates. The opening of the isoxazoline reductive ring to the corresponding highly functionalized 2-aminocyclopentanecarboxylates occurred stereoselectively with good yields.

amino acidsNitrileOrganic ChemistryreductionisoxazolinesRing (chemistry)CycloadditionFull Research Paperlcsh:QD241-441chemistry.chemical_compoundChemistrychemistrylcsh:Organic chemistryOrganic chemistryfunctionalizationlcsh:Qlcsh:Scienceta116cycloadditionBeilstein Journal of Organic Chemistry
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