Search results for "Furan"

showing 10 items of 667 documents

ChemInform Abstract: Reversal of Asymmetric Induction in Stereoselective Strecker Synthesis on Galactosyl Amine as the Chiral Matrix.

1989

Abstract The reversal of the direction of asymmetric induction in Lewis acid catalyzed Strecker synthesis using the 2,3,4,6-tetra-O-pivaloyl-β-D-galactopyranosyl amine 1 is described. In isopropanol or tetrahydrofuran 1 had given ( R )-diastereomers of the corresponding α-amino nitriles preferably. However, in chloroform in the presence of heterogeneous zinc chloride the same auxiliary alternatively leads to an excess of the ( S )-diastereomers.

chemistry.chemical_compoundchemistryStrecker amino acid synthesisDiastereomerStereoselectivityAmine gas treatingGeneral MedicineLewis acids and basesMedicinal chemistryAsymmetric inductionTetrahydrofuranCatalysisChemInform
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Thermodynamisches verhalten, expansionskoeffizient und viskositätszahl von polystyrol in tetrahydrofuran

1968

Streulichtmessungen ergeben, das Polystyrollosungen in Tetrahydrofaran stark exothermisch sind; der 2. Virialkoeffizient des osmotischen Druckes A2 wird uberwiegend durch den Enthalpieterm A2,H bestimmt. Der Expansionskoeffizient gehorcht der (α5−α3)-Beziehung mit der Konstante von STOCKMAYER und die h(z)-Funktion der Gleichung von CASASSA. Die Viskositatszahl [η] wird durch die Gleichung von KURATA und YAMAKAWA erfast. Mit den drei Parametern β/M, K0 = r/M und b/M (b = hydrodynamischer Durchmesser) lassen sich A2, α, [η] und der Tragheitsradius r uber einen grosen Molekulargewichts-bereich in guter Ubereinstimmung mit den Meswerten berechnen (vgl. Abb. 3). Light scattering measurements of …

chemistry.chemical_compoundchemistryVirial coefficientIntrinsic viscosityPolymer chemistryRadius of gyrationLarge rangeTetrahydrofuranDie Makromolekulare Chemie
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l-Arabinose Conformers Adsorption on Ruthenium Surfaces: A DFT Study

2012

Adsorption of 5 L-arabinose tautomers – one acyclic and four cyclic (α and β, pyranose and furanose) species – on a ruthenium surface was studied as a precursor-process of the, nowadays more and more, industrially important sugar catalytic hydrogenation on metal surfaces in water medium. The study was mostly referred to a 37-atom metal catalyst fragment, even though border-effects on the adsorption processes were also checked employing a 61-atom metal fragment. In order to figure out conformational effects on the title process the tautomer flexibility was, at first, investigated by the genetic-algorithm based code Balloon, considering the conformational spaces of the different aquo tautomer…

chemistry.chemical_element02 engineering and technology010402 general chemistry01 natural sciencesMetalAdsorptionComputational chemistryPhysical and Theoretical Chemistryl-Arabinose species conformational analysis ruthenium catalysts adsorption energies DFT studiesConformational isomerismchemistry.chemical_classification021001 nanoscience & nanotechnologyFuranoseTautomer0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsRutheniumGeneral EnergyPyranosechemistrySettore CHIM/03 - Chimica Generale E Inorganicavisual_artvisual_art.visual_art_mediumDensity functional theory0210 nano-technologyThe Journal of Physical Chemistry C
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Formation of meso-1,2-Bis(dimethylamino)-1,2-diphenylethane by Oxidative C-C Coupling Reaction

2005

The title compound was obtained from the reaction of N,N-dimethylbenzylamine with n-butyl lithium and sulfur in tetrahydrofuran at room temperature. Its molecular structure was investigated by means of single crystal X-ray diffraction and quantum chemical DFT methods. The formation of meso-1,2-bis(dimethylamino)-1,2-diphenylethane is likely to be due to an unusual α-deprotonation of N,N-dimethylbenzylamine, instead of the well known ortho-lithiation, with a subsequent oxidative C-C coupling of the anions. Ab initio calculations of the corresponding α- and o-deprotonated anions of N,N-dimethylbenzylamine showed the former to be more stable than the latter, due to delocalisation of the negati…

chemistry.chemical_elementGeneral ChemistryCrystal structureRing (chemistry)Medicinal chemistrySolventchemistry.chemical_compoundchemistryAb initio quantum chemistry methodsComputational chemistryMoleculeLithiumSingle crystalTetrahydrofuranZeitschrift für Naturforschung B
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Crystal structure of 3-(tri-phenyl-phosphoranyl-idene)-2,5-di-hydro-furan-2,5-dione tetra-hydro-furan monosolvate.

2018

The title pseudo-polymorph of 3-(triphenylphosphoranylidene)-2,5-dihydrofuran-2,5-dione crystallizes with a tetrahydrofuran solvent molecule, viz. C22H17O3P·C4H8O. The succinic anhydride ring is approximately planar (r.m.s. deviation = 0.032 Å). The tetrahydrofuran molecule is disordered over two orientations about a pseudo-twofold axis with refined occupancy ratio 0.718 (4):0.282 (4). In the crystal, C—H...O hydrogen bonds link molecules of the dihydrofuran-2,5-dione derivative into chains parallel to the b axis and arranged into layers stacked along [100] alternating with hydrogen-bonded tetrahydrofuran layers.

crystal structure02 engineering and technologyCrystal structure010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesCrystalchemistry.chemical_compoundFuranpseudopolymorphGeneral Materials ScienceCrystallographybiologytetrahydrofuran solvateHydrogen bondSuccinic anhydrideGeneral Chemistry021001 nanoscience & nanotechnologyCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesCrystallographychemistryQD901-999Tetra0210 nano-technologyylidDerivative (chemistry)Acta crystallographica. Section E, Crystallographic communications
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Crystal structure, Hirshfeld surface analysis and electrostatic potential study of naturally occurring cassane-type diterpenoid Pulcherrimin C monohy…

2019

Single crystal X-ray diffraction analysis and Hirshfeld surface analysis of the title compound were carried out to analyse qu­anti­tatively the inter­molecular inter­actions involved in the crystal packing. The electrostatic potential surface was generated over the Hirshfeld surface to visualize the potential active sites.

crystal structureCrystal structurecassane-type diterpenoids010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesResearch Communicationslcsh:ChemistryCrystalchemistry.chemical_compoundFuranHirshfeld surface analysisGeneral Materials SciencebiologyHydrogen bondGeneral ChemistryCondensed Matter PhysicsCaesalpinia pulcherrimabiology.organism_classificationTerpenoid0104 chemical sciencesCaesalpinia pulcherrimapulcherrimin CCrystallographyelectrostatic potentiallcsh:QD1-999chemistryActa Crystallographica Section E Crystallographic Communications
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Crystal structure and computational study of 3,4-dihydroxy-3-hydroxymethyl-9-methyl-6-methylidene-3a, 4,5,6,6a, 9,9a, 9b-octahydroazuleno[4,5-b]furan…

2015

WOS: 000370762300147

crystal structureHOMOLUMOMOPACPM3Crystal structureRing (chemistry)BioinformaticsMedicinal chemistryCentaurea polypodiifoliaCNDOResearch CommunicationsCrystalCNDO/2theoretical investigationchemistry.chemical_compoundFuranGeneral Materials SciencePhysics::Chemical PhysicsHOMO/LUMOQuantitative Biology::Biomoleculescynarinin ACrystallographyHydrogen bondGeneral ChemistryCondensed Matter PhysicschemistryQD901-999
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Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3′-di-tert-butyl-2′-hydroxy-5,5′,6,6′-tetramethyl-1…

2017

The title compound, [Ti(C24H33O2)Cl3(C4H8O)], is a rare example of a trigonal–bipyramidal titanium coordination complex with three chloride and two oxygen donor ligands. The asymmetric unit contains two independent molecules having essentially the same conformation. The molecules feature the titanium(IV) metal cation complexed with three chloride ligands, a tetrahydrofuran molecule, and one oxygen atom from the resolved ligand precursor (R)-(+)-5,5′,6,6′-tetramethyl-3,3′-di-t-butyl-1,1′-biphenyl-2,2′-diol, where the remaining phenolic hydrogen atom engages in intermolecular O—H...Cl hydrogen bonding. In one molecule, the THF ligand is disordered over two orientations with refined site occup…

crystal structureStereochemistrytitanium in trigonal–bipyramidal coordinationchemistry.chemical_elementcoordination complexCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistryCoordination complexchemistry.chemical_compoundFuranGeneral Materials Sciencechemistry.chemical_classificationCrystallographybiologyHydrogen bondLigandGeneral ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesTrigonal bipyramidal molecular geometrychemistryQD901-999TetraTitaniumActa Crystallographica Section E: Crystallographic Communications
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Towards Translational ImmunoPET/MR Imaging of Invasive Pulmonary Aspergillosis: The Humanised Monoclonal Antibody JF5 Detects Aspergillus Lung Infect…

2017

Invasive pulmonary aspergillosis (IPA) is a life-threatening lung disease of hematological malignancy or bone marrow transplant patients caused by the ubiquitous environmental fungus Aspergillus fumigatus. Current diagnostic tests for the disease lack sensitivity as well as specificity, and culture of the fungus from invasive lung biopsy, considered the gold standard for IPA detection, is slow and often not possible in critically ill patients. In a previous study, we reported the development of a novel non-invasive procedure for IPA diagnosis based on antibody-guided positron emission tomography and magnetic resonance imaging (immunoPET/MRI) using a [64Cu] DOTA-labeled mouse monoclonal anti…

dota0301 basic medicinePathologyMonoclonal AntibodyMedizininflammatory diseasesMedicine (miscellaneous)ImmunoPET/MRI.AcetatesAspergillosisEpitopeAspergillus fumigatusMicepet/mriCricetinaeMedicine[ SDV.IB ] Life Sciences [q-bio]/BioengineeringPharmacology Toxicology and Pharmaceutics (miscellaneous)biologyMagnetic Resonance Imaging3. Good healthInfectious DiseasesAspergillus/dk/atira/pure/sustainabledevelopmentgoals/good_health_and_well_being[SDV.IB]Life Sciences [q-bio]/BioengineeringFemaleAntibodyrevealsResearch Papermedicine.medical_specialtymedicine.drug_class030106 microbiologyLung biopsyCHO CellsMonoclonal antibodyAntibodies Monoclonal HumanizedAspergillus nidulans03 medical and health sciencesHeterocyclic Compounds 1-RingCricetulusSDG 3 - Good Health and Well-beingAntigenIn vivo[ SDV.MHEP ] Life Sciences [q-bio]/Human health and pathologygalactofuranoseAspergillosisAnimalsImmunoPET/MRIAntibodies FungalInfectious Diseases; Aspergillus; Aspergillosis; Monoclonal Antibody; JF5; ImmunoPET/MRIbusiness.industryfumigatusmedicine.diseasebiology.organism_classificationMice Inbred C57BLCopper RadioisotopesJF5Positron-Emission Tomographybiology.proteinbiosynthesisRadiopharmaceuticalsbusiness[SDV.MHEP]Life Sciences [q-bio]/Human health and pathologyTheranostics
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CCDC 1817831: Experimental Crystal Structure Determination

2018

Related Article: Ondřej Jurček, Hennie Valkenier, Rakesh Puttreddy, Martin Novák, Hazel A. Sparkes, Radek Marek, Kari Rissanen, Anthony P. Davis|2018|Chem.-Eur.J.|24|8178|doi:10.1002/chem.201800537

ethyl 27-bis{[(4-nitrophenyl)carbamoyl]amino}octahydronaphthalene-4a(2H)-carboxylate tetrahydrofuran solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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