Search results for "Moi"

showing 10 items of 2109 documents

Tandem β-Boration/Arylation of α,β-Unsaturated Carbonyl Compounds by Using a Single Palladium Complex To Catalyse Both Steps

2010

Diphenyl(3-methyl-2-indolyl)phosphine (C(9)H(8)NPPh(2), 1) gives stable dimeric palladium(II) complexes that contain the phosphine in P,N-bridging coordination mode. On treating 1 with [Pd(O(2)CCH(3))(2)], the new complexes [Pd(mu-C(9)H(7)NPPh(2))(NCCH(3))](2) (2) or [Pd(mu-C(9)H(7)NPPh(2))(mu-O(2)CCH(3))](2) (3) were isolated, depending on the solvent used, acetonitrile or toluene, respectively. Further reaction of 3 with the ammonium salt of 1 led to the substitution of one carboxylate ligand to afford [Pd(mu-C(9)H(7)NPPh(2))(3)(mu-O(2)CCH(3))] (4), in which the bimetallic unit is bonded by three C(9)H(7)NPPh(2)(-) moieties and one carboxylate group. Using this methodology, [Pd(2)(mu-C(6)…

ChemistryLigandArylOrganic Chemistrychemistry.chemical_elementGeneral ChemistryMedicinal chemistryCatalysisCatalysischemistry.chemical_compoundOrganic chemistryMoietyCarboxylateAcetonitrilePhosphinePalladiumChemistry - A European Journal
researchProduct

ChemInform Abstract: Indirect Regioselective Heteroarylation of Indoles Through a Friedel-Crafts Reaction with (E)-1,4-Diaryl-2-buten-1,4-diones.

2010

Abstract A two-step synthesis of 3-heteroaryl indoles has been developed. The first step of the sequence involves a Friedel–Crafts alkylation of indoles with 1,4-diaryl-2-buten-1,4-diones to give the corresponding indoles bearing a 1,4-dicarbonyl moiety. The reaction is catalyzed by InCl 3 and takes place with good yields. Cyclization of the diones under different Paal–Knorr conditions allows to prepare indoles substituted at the C3 position with 3-furanyl, 3-pyrrolyl- and 3-thienyl moieties.

ChemistryMoietyRegioselectivityGeneral MedicineAlkylationThiophene derivativesMedicinal chemistryFriedel–Crafts reactionPyrrole derivativesCatalysisChemInform
researchProduct

Semiempirical calculations on the interaction between dimethyltin(IV) and DNA model system

1999

Abstract The interaction between a dinucleotide triphosphate duplex (DD), mimicking the DNA molecule, and the dimethyltin(IV) cation is studied by the semiempirical PM3 method. The results show that the interaction can occur involving the tin atom and the electron-donor centres of DD, requiring in some cases the presence of water molecules. In particular, the binding of the dimethyltin(IV) moiety with two adjacent phosphate oxygen atoms is allowed by the presence of water molecules coordinating to the tin atom. In this case the tin environment shows a geometry in agreement with 119 Sn Mossbauer and X-ray data.

ChemistryMolecular models of DNAchemistry.chemical_elementequipment and suppliesCondensed Matter PhysicsBiochemistryOrganotin moietychemistry.chemical_compoundCrystallographyOxygen atomSettore CHIM/03 - Chimica Generale E InorganicaComputational chemistryMössbauer spectroscopyDNA modelMoleculeMoietyPM3 calculationPhysical and Theoretical ChemistryTinDNAJournal of Molecular Structure: THEOCHEM
researchProduct

Installation of Amine Moieties into a Polycyclic Anodic Product Derived from 2,4-Dimethylphenol

2011

When 2,4-dimethylphenol is anodically treated, a dehydrotetramer with four contiguous stereocentres is readily obtained on a multi-gram scale. The substitution of a 2,4-dimethyl-phenoxy fragment by several amines was demonstrated, and the best results were obtained with primary amines. Optically pure α-chiral aliphatic amines yield diastereomeric mixtures that can be separated in most cases. The basic amine causes a partial hemiketal-opening of the bisbenzofuran moiety leading to an equilibrium within an α,β-unsaturated cyclohexenone. This dynamic behaviour occurs on the time scale of NMR spectroscopy and is also found by X-ray analysis providing a consistent picture.

ChemistryOrganic ChemistryDiastereomerGeneral ChemistryNuclear magnetic resonance spectroscopyCatalysisChiral resolutionchemistry.chemical_compoundCyclohexenoneYield (chemistry)MoietyOrganic chemistryAmine gas treatingAminationChemistry - A European Journal
researchProduct

Indirect regioselective heteroarylation of indoles through a Friedel–Crafts reaction with (E)-1,4-diaryl-2-buten-1,4-diones

2009

Abstract A two-step synthesis of 3-heteroaryl indoles has been developed. The first step of the sequence involves a Friedel–Crafts alkylation of indoles with 1,4-diaryl-2-buten-1,4-diones to give the corresponding indoles bearing a 1,4-dicarbonyl moiety. The reaction is catalyzed by InCl 3 and takes place with good yields. Cyclization of the diones under different Paal–Knorr conditions allows to prepare indoles substituted at the C3 position with 3-furanyl, 3-pyrrolyl- and 3-thienyl moieties.

ChemistryOrganic ChemistryDrug DiscoveryRegioselectivityOrganic chemistryMoietyAlkylationBiochemistryFriedel–Crafts reactionCatalysisTetrahedron
researchProduct

Fluorinated heterocyclic compounds. A photochemical synthesis of 3-amino-5-perfluoroaryl-1,2,4-oxadiazoles

2001

Abstract A photochemical methodology for the synthesis of 3-amino- (or 3- N -substituted amino) 5-pentafluorophenyl-1,2,4-oxadiazoles is reported. Irradiation of 3-pentafluorobenzoylamino-4-methyl-1,2,5-oxadiazole (Furazan) at 254 nm in methanol and in the presence of ammonia, primary or secondary aliphatic amines produces 3-amino-, 3-( N -alkylamino)-, 3-( N , N -dialkylamino)-5-pentafluorophenyl-1,2,4-oxadiazoles. The photoreaction follows the fragmentation pattern of the furazan ring with the extrusion of acetonitrile and the formation of a counterpart fragment which the nitrogen nucleophile will capture. Depending on the nature of the reagent, displacement of a fluoride anion at the C(5…

ChemistryOrganic ChemistryRing (chemistry)PhotochemistryFurazanBiochemistrySolventchemistry.chemical_compoundNucleophileReagentDrug DiscoveryMoietyMethanolAcetonitrileTetrahedron
researchProduct

Diastereoselective Michael addition of (S)-mandelic acid enolate to 2-arylidene-1,3-diketones: enantioselective diversity-oriented synthesis of dense…

2006

[EN] A diversity-oriented approach to enantiomerically pure densely substituted pyrazoles, ¿-aryl-¿-pyrazolylatrolactic acid and ¿-aryl-¿-pyrazolylacetophenones has been developed. The approach utilises the conjugated addition of the lithium enolate of the (2S,5S)-cis-1,3-dioxolan-4-one derived from optically active (S)-mandelic acid and pivalaldehyde to several 2-arylidene-1,3-diketones, which proceeds readily to give the corresponding Michael adducts in good yields and diastereoselectivities. The cyclocondensation of the 1,3-diketone moieties present in Michael adducts with several hydrazines leads to enantiomerically pure densely substituted pyrazoles. Subsequent basic hydrolysis of the …

ChemistryStereochemistryOrganic ChemistryEnantioselective synthesisGeneral MedicineConjugated systemMandelic acidBiochemistryMedicinal chemistryCatalysisAdductchemistry.chemical_compoundFISICA APLICADADrug DiscoveryMichael reactionMoietyOrganic chemistryOxidative decarboxylation
researchProduct

3,3′-Disubstitued 2,2′-Bipyridines as Carboxylate Receptors: Conformational Regulation of the Bipyridine Moiety

2008

Two bipyridine derivatives were synthesized and characterized, and their ability to act as sensors for carboxylates was evaluated by UV/Vis and fluorescence studies. The influence of the substituents of the thiourea groups on the stoichiometry of the resulting dicarboxylate complexes was established. Conformational changes in the bipyridine moiety under different conditions were evaluated.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

ChemistryStereochemistryOrganic ChemistryFluorescencechemistry.chemical_compoundBipyridineMolecular recognitionThioureaPolymer chemistryMoietyCarboxylatePhysical and Theoretical ChemistryReceptorStoichiometryEuropean Journal of Organic Chemistry
researchProduct

A DFT study of the asymmetric (S)-5-(pyrrolidin-2-yl)-1H-tetrazole catalyzed Michael addition of carbonyl compounds to nitroalkenes

2007

Abstract The role of the ( S )-5-(pyrrolidin-2-yl)-1 H -tetrazole in the asymmetric organocatalyzed Michael addition of carbonyl compounds to nitroalkenes has been studied using DFT methods at the B3LYP/6-31G ∗∗ computational level. For the C–C bond-formation step, several reactive channels have been analyzed. The B3LYP/6-31G ∗∗ results, which are in reasonable agreement with the experiments, allow us to explain the stereoselectivity and the increase of the reactivity achieved by an intramolecular HB between the acid hydrogen of the tetrazole moiety and one oxygen atom of the nitroalkene.

ChemistryStereochemistryOrganic ChemistryNitroalkeneCatalysisCatalysisInorganic Chemistrychemistry.chemical_compoundIntramolecular forceMichael reactionMoietyReactivity (chemistry)TetrazoleStereoselectivityPhysical and Theoretical ChemistryTetrahedron: Asymmetry
researchProduct

Interaction of methylmercury(II) with the bifunctional ligand o-diphenylphosphinobenzoate, dpb. Synthesis and characterization of [(dpb)HgMe] and [(d…

1998

Abstract The complex [(dpb)HgMe] (1) is obtained by reaction of MeHg(OH) with o-diphenylphosphinobenzoic acid (Hdpb); alternatively the solvate [(dpb)HgMe] · 0.5H2O · 0.5C5H5N (1bis) can be prepared by reacting MeHgCl with Hdpb and pyridine. The derivative [(dpbo)HgMe] (2), where dpbo is o-diphenylphosphinoxidebenzoate, is formed by reaction of 1 or 1bis solutions with atmospheric oxygen. Crystal data for 1bis: monoclinic, space group P2/n, a=10.413(4), b=9.831(3), c=20.674(3) A, β=102.51(3)°, Z=2. Crystal data for 2: triclinic, space group P1, a=11.535(2), b=12.897(5), c=13.275(7) A, α=88.31(4), β=73.65(4), γ=85.27(4)°, Z=2. In 1bis the mercury atom displays a distorted linear fashion, bei…

ChemistryStereochemistryOrganic ChemistryNuclear magnetic resonance spectroscopyCrystal structureTriclinic crystal systemBiochemistryInorganic Chemistrychemistry.chemical_compoundCrystallographyPyridineMaterials ChemistryMoietyMoleculePhysical and Theoretical ChemistryBifunctionalMethyl groupJournal of Organometallic Chemistry
researchProduct