Search results for "Phenacyl"

showing 6 items of 6 documents

Predominance of inductive over resonance substituent effect on33S NMR chemical shifts of 4-substituted phenyl-4′-methylphenacyl sulfones

1999

33S NMR chemical shifts have been determined for the first time for a series of 10 substituted phenacyl sulfones. Electron-withdrawing and electron-releasing substituents in 4-substituted phenyl-4′-methylphenacyl sulfones, p-MeC6H4COCH2SO2C6H4R-p, cause a ‘reverse’ substituent effect on the 33S NMR resonance. Dual-substituent parameter (DSP) analysis of δ(33S) values revealed that the inductive effect of the substituent predominates over its resonance effect. This finding shows that the 33S NMR chemical shifts are of importance in estimating the electronic properties of sulfur-containing compounds. The 13C and 17O NMR chemical shifts of the title compounds are also discussed. Copyright © 19…

ChemistryStereochemistryCarbon-13 NMR satelliteChemical shiftSubstituentGeneral ChemistryCarbon-13 NMRResonance (chemistry)PhenacylMedicinal chemistrychemistry.chemical_compoundGeneral Materials ScienceInductive effectResonance effectMagnetic Resonance in Chemistry
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Synthesis of 4(5)-phenacyl-imidazoles from isoxazole side-chain rearrangements

2010

A novel base-induced rearrangement of isoxazoles into imidazole derivatives is reported. In the isoxazole series, this represents the first example of a three-atom side-chain rearrangement involving a CNC sequence. The reactions are carried out under nitrogen and produced 2-aryl-4(5)-phenacyl-5(4)-phenyl-imidazoles in high yields. In the presence of oxygen, a cascade rearrangement-oxidation reaction sequence was observed and imidazole derivatives bearing an oxidized side-chain were isolated.

Molecular StructureStereochemistryAcylationOrganic ChemistryImidazolesSequence (biology)Settore CHIM/06 - Chimica OrganicaIsoxazolesPhenacylBiochemistryHeterocyclic rearrangement isoxazole imidazole tandem reactions.Acylationchemistry.chemical_compoundReaction sequencechemistrySide chainImidazoleMoleculeIminesPhysical and Theoretical ChemistryIsoxazoleOxidation-ReductionOrg. Biomol. Chem.
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On the rearrangement of some Z-arylhydrazones of 3-benzoyl-5-phenylisoxazoles into 2-aryl-4-phenacyl-2H-1,2,3-triazoles: a kinetic study of the subst…

2015

Abstract The rearrangement of eight new Z -arylhydrazones of 3-benzoyl-5-phenylisoxazoles ( 3d – k ) into the relevant 2-aryl-4-phenacyl-2 H -1,2,3-triazoles ( 4d – k ) in dioxane/water solution at different proton concentrations has been quantitatively studied in a wide temperature range (293–333 K). The data collected together with some our previous ones on compounds 3a – c have allowed a deep study of the substituent effects on the course of the rearrangement, thus increasing our knowledge on the Boulton–Katritzky reactions in isoxazole derivatives and on the temperature effects on free energy relationships.

ProtonArylOrganic ChemistryMononuclear rearrangement of heterocycles substituent effect phenylisoxazolesSubstituentSettore CHIM/06 - Chimica OrganicaAtmospheric temperature rangePhenacylKinetic energyBiochemistryMedicinal chemistrychemistry.chemical_compoundchemistryDrug DiscoveryOrganic chemistryIsoxazoleBoulton-Katritzky reactions Isoxazoles Triazoles Ring-into-ring conversion Effect of substituents Free energy relationships
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ChemInform Abstract: Synthesis of 4(5)-Phenacyl-imidazoles from Isoxazole Side-Chain Rearrangements.

2011

The reaction must be carried out under nitrogen atmosphere in deoxygenated solvent to prevent the oxidation of the imidazole products.

Solventchemistry.chemical_compoundchemistryPolymer chemistrySide chainImidazoleNitrogen atmosphereGeneral MedicineIsoxazolePhenacylChemInform
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Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles

2013

1 H and 13C NMR spectra of eleven 2-phenacylbenzoxazoles (ketimine form) show that their CDCl3-solutions contains also (Z)-2-(benzo[d]oxazol-2-yl)-1-phenylethenols (enolimine form). Intramolecular hydrogen bonding in the latter tautomer was found to be significantly weaker than that one in respective (Z)-2-(2-hydroxy-2-phenylvinyl)pyridines. Integrals of the 1 H NMR signals were used to evaluate the molar ratio of the tautomers. Strong electron-donating substituents were found to stabilize the ketimine tautomer. pKT (negative logarithm of the equilibrium constant, KT = [ketimine]/[enolimine]) was found to be linearly dependent on the Hammett substituent constant σ. The results of the MP2 ab…

Stereochemistry2-phenyacylbenzoxazoleSubstituent2-fenasyylibentsoksatsoli010402 general chemistry01 natural sciencesArticleCatalysisInorganic Chemistrylcsh:Chemistryresonance interactionchemistry.chemical_compoundAb initio quantum chemistry methods2-phenacylbenzoxazolePhysical and Theoretical Chemistryta116Molecular Biologylcsh:QH301-705.5SpectroscopyEquilibrium constanthydrogen bond010405 organic chemistryHydrogen bondOrganic Chemistryquantum-chemical calculationsGeneral MedicineCarbon-13 NMRTautomerNMR0104 chemical sciencesComputer Science ApplicationsCrystallographytautomerismchemistrylcsh:Biology (General)lcsh:QD1-999Intramolecular forceProton NMRsubstituent effect
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Unprecedented ring cleavage in the reaction of 1-methyl-3-phenacyl benzimidazolium ylide with diethyl azodicarboxylate

2010

The reaction with diethyl azodicarboxylate (DEAZD) of different cycloimmonium ylides derived from pyridinium, quinolinium, isoquinolinium and 1-methylbenzimidazolium bromides (3, 4, 5 and 6) yielded 3-substituted tetraazapentenes (2). In the special case of 1-methyl-3-phenacyl-benzimidazolium bromide (6a), the ring cleavage compound N-[1-[(ethoxycarbonyl)amino]-2-oxo-2-phenylethylidene]-N-formyl-N-methyl-1,2-benzenediamine (7a) was obtained. Its structure was established by X-ray crystallography.

chemistry.chemical_classificationDiethyl azodicarboxylatechemistry.chemical_compoundchemistryYlideBromideOrganic chemistryGeneral ChemistryPyridiniumRing (chemistry)Cleavage (embryo)PhenacylMedicinal chemistryRecueil des Travaux Chimiques des Pays-Bas
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