Search results for "Benzyl"

showing 10 items of 878 documents

DFT insights into the oxygen-assisted selective oxidation of benzyl alcohol on manganese dioxide catalysts

2020

Abstract The reactivity pattern of the MnO2 catalyst in the selective aerobic oxidation of benzyl alcohol is assessed by density functional theory (DFT) analysis of adsorption energies and activation barriers on a model Mn4O8 cluster. DFT calculations predict high reactivity of defective Mn(IV) sites ruling a surface redox mechanism, L-H type, involving gas-phase oxygen. Bare and promoted (i.e., CeOx and FeOx) MnOx materials with high surface exposure of Mn(IV) sites were synthesized to assess kinetic and mechanistic issues of the selective aerobic oxidation of benzyl alcohol on real catalysts (T, 333–363 K). According to DFT predictions, the experimental study shows: i) comparable activity…

inorganic chemicalsInorganic chemistrychemistry.chemical_elementAlcoholManganese010402 general chemistry01 natural sciencesRedoxCatalysisInorganic Chemistrychemistry.chemical_compoundAdsorptionBenzyl alcoholMaterials ChemistryReactivity (chemistry)Physical and Theoretical ChemistryReaction mechanismBenzoic acidDFT analysi010405 organic chemistryActive siteorganic chemicalsMnO2 catalyst0104 chemical scienceschemistrySettore CHIM/03 - Chimica Generale E InorganicaBenzyl alcoholActive sites; Benzyl alcohol; DFT analysis; MnO; 2; catalyst; Reaction mechanism; Selective oxidationSelective oxidation
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Water compatible gold(III)-catalysed synthesis of unsymmetrical ethers from alcohols.

2008

An efficient and broad-scoped method for the preparation of unsymmetrical ethers from alcohols catalysed by the simplest and least expensive gold catalyst, NaAuCl 4 , is described for the first time. The procedure enables the etherification of benzylic and tertiary alcohols with moderate to good yields under mild conditions with low catalyst loading. Symmetrical ethers, the usual side products in the etherification of alcohols, were not detected in this case. The formation of the racemic ether from a chiral benzyl alcohol suggests the intermediacy of a carbocation, which has not previously been postulated for gold-catalysed reactions involving alcohols.

inorganic chemicalsorganic chemicalsOrganic ChemistryEtherHomogeneous catalysisGeneral ChemistryCarbocationCatalysisCatalysischemistry.chemical_compoundGold iiichemistryBenzyl alcoholOrganic chemistryheterocyclic compoundsLewis acids and basesTertiary alcoholsChemistry (Weinheim an der Bergstrasse, Germany)
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Comparative study of the rat uterine smooth muscle relaxant activity of three bisbenzyltetrahydroisoquinolines with tetrandrine

1993

Abstract The relaxant activity of three bisbenzyltetrahydroisoquinolines—obaberine, popisonine and lindoldhamine—was examined in rat isolated uterus and their inhibitory potencies were compared with that of tetrandrine. All alkaloids tested relaxed KCl-depolarized rat uterus and totally or partially inhibited oxytocin-induced rhythmic contractions. The degree of methylation of the free phenolic hydroxy groups and the loss of one diarylether bridge influence the potency of relaxant action of these alkaloids. Only alkaloids with absolute configuration 1R,1′S or 1R1′R acted intracellularly, promoting relaxation of contractile responses induced by oxytocin or vanadate in a Ca2+-free medium.

medicine.medical_specialtyMuscle RelaxationUterusPharmaceutical Sciencechemistry.chemical_elementIn Vitro TechniquesBiologyCalciumOxytocinBenzylisoquinolinesUterine contractionStructure-Activity RelationshipUterine Contractionchemistry.chemical_compoundAlkaloidsInternal medicinemedicineAnimalsVanadateRats WistarPharmacologyAlkaloidUterusMuscle SmoothCalcium Channel BlockersIsoquinolinesRatsTetrandrinemedicine.anatomical_structureMuscle relaxationEndocrinologyOxytocinchemistryPotassiumCalciumFemaleVanadatesmedicine.symptommedicine.drugJournal of Pharmacy and Pharmacology
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Inhibition of calcium entry induced by cularines and isocrasifoline in uterine smooth muscle.

1991

Abstract The effects of nifedipine, papaverine and four benzylisoquinoline alkaloids (cularine, cularidine, celtisine and isocrasifoline) were studied in isolated rat uterus in order to clarify the mechanism of their relaxant action. All the compounds tested completely relaxed KCl-induced contractions and totally or partially inhibited oxytocin-induced rhythmic contractions. Only papaverine acted intracellularly, promoting relaxation of contractile responses induced by oxytocin or vanadate in a Ca 2+ -free medium. In spite of the structural relationship between papaverine and the other alkaloids, the mechanism of their relaxant action is not the same. The activities of cularine derivatives …

medicine.medical_specialtyNifedipineIn Vitro TechniquesOxytocinchemistry.chemical_compoundUterine ContractionAlkaloidsNifedipineCoumarinsInternal medicinePapaverinemedicineAnimalsVanadateBenzylisoquinolinePharmacologyPapaverineChemistryAlkaloidMuscle SmoothRats Inbred StrainsIsoquinolinesRatsEndocrinologyOxytocinMechanism of actionCalciumFemalemedicine.symptomVanadatesmedicine.drugMuscle contractionMuscle ContractionEuropean journal of pharmacology
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Selective inhibition of calcium entry induced by benzylisoquinolines in rat smooth muscle.

1992

Abstract The mechanism of relaxant activity of six benzylisoquinolines was examined in order to determine the minimal structural requirements that enable these compounds to have either a non-specific action like papaverine or an inhibitory activity on calcium entry via potential-operated channels. All the alkaloids tested totally or partially relaxed KCl-depolarized rat uterus and inhibited oxytocin-induced rhythmic contractions. Only glaucine and laudanosine inhibited K+-induced uterine contractions more than oxytocin-induced uterine contractions. In Ca+-free medium, sustained contractions induced by oxytocin or vanadate were relaxed by the alkaloids tested except for glaucine and laudanos…

medicine.medical_specialtyPharmaceutical Sciencechemistry.chemical_elementPharmacologyCalciumIn Vitro TechniquesOxytocinCalcium in biologyUterine contractionLaudanosinechemistry.chemical_compoundUterine ContractionAlkaloidsInternal medicinePapaverinemedicineAnimalsBenzylisoquinolinesPharmacologyPapaverineEstradiolChemistryMuscle SmoothRats Inbred StrainsCalcium Channel BlockersIsoquinolinesGlaucineRatsEndocrinologyPotassiumCalciumFemalemedicine.symptomMuscle contractionmedicine.drugMuscle ContractionThe Journal of pharmacy and pharmacology
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Dual Diagnostic Role of 123I-MIBG Scintigraphy in Inverted Takotsubo Cardiomyopathy : Reply [Letter]

2016

International audience

medicine.medical_specialty[SDV]Life Sciences [q-bio]123i mibg scintigraphyCardiomyopathy[SDV.IB.MN]Life Sciences [q-bio]/Bioengineering/Nuclear medicine3-Iodobenzylguanidine030218 nuclear medicine & medical imaging[ SDV.IB.MN ] Life Sciences [q-bio]/Bioengineering/Nuclear medicine03 medical and health sciences0302 clinical medicineTakotsubo CardiomyopathyInternal medicinemedicineHumansRadiology Nuclear Medicine and imagingRadionuclide imaging[ SDV.IB ] Life Sciences [q-bio]/BioengineeringRadionuclide ImagingComputingMilieux_MISCELLANEOUS[ SDV ] Life Sciences [q-bio]business.industryGeneral Medicinemedicine.disease3. Good health3-Iodobenzylguanidine030220 oncology & carcinogenesisCardiology[SDV.IB]Life Sciences [q-bio]/BioengineeringNuclear medicinebusiness
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CCDC 985005: Experimental Crystal Structure Determination

2014

Related Article: Frank Bohland, Irina Erlin, Lukas Platte, Maike Schröder, Dieter Schollmeyer, Udo Nubbemeyer|2014|Eur.J.Org.Chem.|2014|6272|doi:10.1002/ejoc.201402720

methyl 1-benzyl-8-((t-butyl(dimethyl)silyl)oxy)-3-chloro-2-oxo-234789-hexahydro-1H-azonine-4-carboxylateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Oxidation of aromatic alcohols in irradiated aqueous suspensions of commercial and home-prepared rutile TiO(2): a selectivity study.

2008

WOS: 000256241700021

oxidationPhotochemistryUltraviolet RaysAlcoholAnisolesAldehydeAlcohols Oxidation Photocatalysis Rutile SelectivityCatalysisCatalysisalcoholschemistry.chemical_compoundX-Ray DiffractionOrganic chemistryReactivity (chemistry)chemistry.chemical_classificationTitaniumSettore ING-IND/24 - Principi Di Ingegneria ChimicaAqueous solutionalcohols;oxidation;photocatalysis;rutile;selectivityMolecular StructureOrganic ChemistryselectivityWaterGeneral ChemistrychemistryBenzyl alcoholPhotocatalysisSettore CHIM/07 - Fondamenti Chimici Delle TecnologieSelectivityrutilephotocatalysisOxidation-ReductionBenzyl AlcoholChemistry (Weinheim an der Bergstrasse, Germany)
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CCDC 1972054: Experimental Crystal Structure Determination

2020

Related Article: Andreas Heilmann, Jamie Hicks, Petra Vasko, Jose M. Goicoechea, Simon Aldridge|2020|Angew.Chem.,Int.Ed.|59|4897|doi:10.1002/anie.201916073

potassium (27-di-t-butyl-N4N5-bis[26-di-isopropylphenyl]-99-dimethyl-9H-xanthene-45-diamine)-benzyl-(trimethylsilylamide)-aluminium benzene solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety

2019

σ1 and/or σ2 receptors play a crucial role in pathological conditions such as pain, neurodegenerative disorders, and cancer. A set of spirocyclic cyclohexanes with diverse O-heterocycles and amino moieties (general structure III) was prepared and pharmacologically evaluated. In structure-activity relationships studies, the σ1 receptor affinity and σ1:σ2 selectivity were correlated with the stereochemistry, the kind and substitution pattern of the O-heterocycle, and the substituents at the exocyclic amino moiety. cis-configured 2-benzopyran cis-11b bearing a methoxy group and a tertiary cyclohexylmethylamino moiety showed the highest σ1 affinity ( Ki = 1.9 nM) of this series of compounds. In…

synthesisexocyclic amino moietyReceptors Opioid mudocking studieCrystallography X-RayLigands01 natural sciencesopioid receptorschemistry.chemical_compoundProtein structureDrug DiscoveryMoiety0303 health sciencesσ1 receptor ligandsstructure (σ1) affinity relationshipmolecular dynamicBenzyl groupMolecular MedicinesynthesiBenzopyransSelectivityHydrophobic and Hydrophilic Interactionsfree binding enthalpyStereochemistrychange of receptor profileMolecular Dynamics Simulation03 medical and health sciencesStructure-Activity Relationshipσ1 receptor ligands; spirocyclic compounds; benzopyrans; benzofurans; exocyclic amino moiety; synthesis; structure (σ1) affinity relationships; σ1 antagonistic activity; receptor selectivity; molecular dynamics; docking studies; free binding enthalpy; X-ray crystal structure; opioid receptors; MOR affinity; change of receptor profile; structure MOR affinity relationshipsstructure (σ1) affinity relationshipsStructure–activity relationshipHumansReceptors sigmaBenzopyransSpiro Compoundsspirocyclic compoundBinding siteMOR affinity030304 developmental biologybenzopyranbenzofuransσ1 receptor ligandBinding Sitesspirocyclic compoundsreceptor selectivitystructure MOR affinity relationshipsdocking studiesbenzofuranopioid receptorX-ray crystal structuremolecular dynamics0104 chemical sciencesProtein Structure Tertiary010404 medicinal & biomolecular chemistrychemistrySalt bridgeσ1 antagonistic activity
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