Search results for "medicinal"

showing 10 items of 2966 documents

A density functional theory study of the chemoselectivity and regioselectivity of the domino cycloaddition reactions of nitroalkenes with substituted…

2000

The chemoselectivity and regioselectivity of the domino intermolecular [4 + 2]/[3 + 2] cycloaddition reactions of nitroalkenes with substituted alkenes, vinyl ethers as electron-rich alkenes and vinyl ketones as electron-poor alkenes, have been studied using density functional theory (DFT) methods with the B3LYP functional and the 6-31G* basis set. These domino processes comprise two consecutive cycloaddition reactions: the first one is an intermolecular [4 + 2] cycloaddition of the vinyl ether to the nitroalkene to give a nitronate intermediate, which then affords the final nitroso acetal adduct through an intermolecular [3 + 2] cycloaddition reaction with the vinyl ketone. The two consecu…

chemistry.chemical_classificationKetoneAlkeneRegioselectivityVinyl etherNitroalkeneMedicinal chemistryCycloadditionchemistry.chemical_compoundchemistrymedicineOrganic chemistryNitronatePhysical and Theoretical ChemistryChemoselectivitymedicine.drugTheoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
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Cyclocondensation reaction of 1,2-diamino-4-methylbenzene andp-substituted acetophenones

1993

1,2-Diamino-4-methylbenzene 1 reacts in the presence of sulphuric acid with 4-substituted acetophenones 2a-e yielding 2,4-diaryl-2,3-dihydro-2,8-dimethyl-1H-1,5-benzodiazepines 3a-e and as minor component 2,4-diaryl-2,3-dihydro-2,7-dimethyl-1H-1,5-benzodiazepines 4a-e. The ratio 3:4 is in the range of 7:3. The structure determination of the regioisomers was performed by NOE measurements.

chemistry.chemical_classificationKetoneBicyclic moleculeOrganic ChemistrySulfuric acidNuclear magnetic resonance spectroscopyCondensation reactionMedicinal chemistrychemistry.chemical_compoundchemistryDiamineStructural isomerOrganic chemistryAcetophenoneJournal of Heterocyclic Chemistry
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ChemInform Abstract: Synthesis of Functionalized Indoles with an α-Stereogenic Ketone Moiety Through an Enantioselective Friedel-Crafts Alkylation wi…

2010

Chiral complexes of BINOL-based ligands with hafnium tert-butoxide catalyze the enantioselective Friedel-Crafts alkylation of indoles with (E)-1,4-diaryl-2-butene-1,4-diones at room temperature, with good yields and ee up to 94%. Hafnium(IV) was found to be a more effective Lewis acid than other frequently used metal ions such as titanium(IV) or zirconium(IV). Unlike the enantioselective Friedel-Crafts alkylation of indoles with α,β-unsaturated compounds where the stereogenic center is generated in the β-position to a carbonyl group, the Friedel-Crafts alkylation with 2-butene-1,4-diones described here generates an α-stereogenic center with respect to one of the carbonyl groups. This can be…

chemistry.chemical_classificationKetoneChemistryEnantioselective synthesisMoietyGeneral MedicineLewis acids and basesAlkylationMedicinal chemistryFriedel–Crafts reactionStereocenterUmpolungChemInform
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Oxidative halogenation of substituted pyrroles with Cu(II). PartIII. Bromination and chlorination of 2-benzoylpyrrole

1992

The bromination of 2-benzoylpyrrole with copper(II) bromide in the homogeneous and the heterogeneous phase is described, giving 4- and 5-monobromo derivatives whose ratio decreases as the temperature is increased. The same reaction with copper(II) chloride in acetonitrile at 60° produces 5-chloro-2-benzoylpyrrole as the major product. 4,5-Dihalopyrroles in good yields are obtained with an excess of halogenating agent.

chemistry.chemical_classificationKetoneChemistryOrganic ChemistryHalogenationchemistry.chemical_elementOxidative phosphorylationMedicinal chemistryChlorideCopperchemistry.chemical_compoundBromidePhase (matter)medicineOrganic chemistryAcetonitrilemedicine.drugJournal of Heterocyclic Chemistry
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Carbonylmolybdenum complexes with di(imino)pyridine and related ligands: Reduction of a di(imino)pyridine to an aminoiminopyridine system under mild …

2006

Abstract The reactions of [Mo(CO) 6 ] towards a 2,6-di(imino)pyridine L 1 and related ligands were studied. The reaction with L 1 afforded two new complexes, [Mo(CO) 4 L 1 ] ( 1 ) and [Mo(CO) 4 L 2 ] ( 2 ), where L 2 is the 2-amino-6-iminopyridine ligand arising from the hydrogenation of one imine function of L 1 ; similar reaction with a 2-acetyl-6-iminopyridine ligand L 3 afforded [Mo(CO) 4 L 3 ] ( 3 ). Compounds 1 , 2 and 3 have been fully characterised by IR, 1 H NMR and X-ray crystallography; they present a metal ion in a pseudo-octahedral environment, the three organic ligands acting with bidentate N 2 coordination modes. One of the imine functions in 1 , the amine function in 2 , and…

chemistry.chemical_classificationKetoneDenticity010405 organic chemistryStereochemistryLigandImineCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistry[ CHIM ] Chemical Sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundchemistryPyridineMaterials ChemistryProton NMR[CHIM]Chemical SciencesAmine gas treatingPhysical and Theoretical Chemistry
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A Highly Regio-, Diastereo- and Enantioselective Intramolecular Cyclopropanation Reaction of a Racemic α-Diazo Ketone Catalyzed by Chiral ortho-Metal…

2003

Abstract A series of racemic dirhodium(II) compounds with two ortho-metalated aryl phosphine ligands in a head-to-tail arrangement Rh2(O2CR)2(pc)2 (pc=ortho-metalated aryl phosphine) (1a–k) were tested in the regio- and stereoselective cyclopropanation of racemic 1-diazo-6-methyl-3-(2-propenyl)-5-hepten-2-one 2, which possesses two different reactive CC double bonds for a five-membered-ring formation. The complexes Rh2(O2CCH3)2(pc)2 {pc=[(C6H4)P(C6H5)2], [(p-CH3C6H3)P(p-CH3C6H4)2], and [(C6H4)P(C6H5)(C6F5)]} (1a–d) successfully enhanced the cyclopropanation of trisubstituted versus monosubstituted CC bonds to give an 80:20 selectivity ratio. The reaction occurred with excellent diastereos…

chemistry.chemical_classificationKetoneDouble bondStereochemistryCyclopropanationArylOrganic ChemistryEnantioselective synthesisGeneral MedicineMedicinal chemistryCatalysisInorganic Chemistrychemistry.chemical_compoundchemistryStereoselectivityDiazoPhysical and Theoretical ChemistryPhosphineChemInform
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Highly Diastereoselective Arylation of (S)-Mandelic Acid Enolate: Enantioselective Synthesis of Substituted (R)-3-Hydroxy-3-phenyloxindoles and (R)-B…

2005

An easy access to substituted (R)-3-hydroxy-3-phenyloxindoles, (R)-benzylic acids, and benzophenones is described. The reaction of the lithium enolate of the (2S,5S)-cis-1,3-dioxolan-4-one derived from optically active (S)-mandelic acid and pivalaldehyde with several o- and p-halonitrobenzenes proceeds readily to give the corresponding arylation products in good yields and diastereoselectivities. The reduction of the nitro group with Zn/HCl/EtOH in the o-nitro arylation products with concomitant intramolecular aminolysis of the dioxolanone moiety leads directly to enantiomerically pure (R)-3-hydroxy-3-phenyloxindoles. On the other hand the basic hydrolysis of the dioxolanone moiety in all t…

chemistry.chemical_classificationKetoneIntramolecular reactionChemistryOrganic ChemistryNitro compoundEnantioselective synthesisGeneral MedicineMandelic acidChemical synthesisMedicinal chemistryCatalysischemistry.chemical_compoundAminolysisIntramolecular forceNitroOrganic chemistryMoietyOxidative decarboxylationChemInform
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Inhibitoren der Korrosion 23 (1) - Gibt es eine Struktur- Wirkungs-Beziehung bei organischen Inhibitoren der Korrosion von Aluminium?

1978

Uber 400 organische Verbindungen wurden routinemasig darauf gepruft, ob sie die Auflosung des Aluminiums in In Salzsaure in Gegenwart von 2,5% NaCl und bei einer Konzentration von 10−2 Mol/l der zu prufenden Verbindung beeinflussen. Es wurde versucht, eine “Struktur-Wirkungs-Beziehung” zu erstellen. Eingehender diskutiert wurden folgende Verbindungsklassen: Arsenverbindungen, Phosphon- und Phosphinsauren, aromatische Aldehyde und Ketone, aromatische und aliphatische Carbonsauren, zweiwertige Phenole, Tetrazoliumsalze und formazane, Sulfoxide und aromatische Sulfonsauren, Sulfonamide und Sulfone. Bei einer Auswahl von Inhibitoren wurde die Abhangigkeit der Schutzwirkung von deren Konzentrati…

chemistry.chemical_classificationKetoneMechanical EngineeringMetals and Alloyschemistry.chemical_elementSulfoxideGeneral MedicineZincAldehydeMedicinal chemistryOrganic compoundSurfaces Coatings and FilmsSulfonamideSulfonechemistry.chemical_compoundchemistryMechanics of MaterialsPolymer chemistryMaterials ChemistryEnvironmental ChemistryPhenolsMaterials and Corrosion/Werkstoffe und Korrosion
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Enantioselective Protonation of the Lithium Transient Enolate of2-Methyltetralone with 2-Sulfinyl Alcohols

2005

A new catalytic cycle for the enantioselective protonation of cyclic ketone enolates with sulfinyl alcohols has been developed. An enol trifluoroacetate that can be easily obtained from the corresponding ketone is used for the first time as an enolate precursor of a cyclic ketone enolate. In this method, the achiral alcohol plays two roles: it is involved, as is usual in catalytic asymmetric protonation reactions, in the turnover of the chiral proton source and also in the generation of a transient enolate through the reaction of its corresponding alkoxide with the enol trifluoroacetate precursor. Stereoselectivity is highly dependent on the structure of the achiral alcohol. High levels of …

chemistry.chemical_classificationKetoneOrganic ChemistryEnantioselective synthesisCyclohexanolProtonationMedicinal chemistryEnolchemistry.chemical_compoundchemistryCatalytic cycleAlkoxideOrganic chemistryStereoselectivityPhysical and Theoretical ChemistryEuropean Journal of Organic Chemistry
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Highly Enantioselective Protonation of the 3,4-Dihydro-2- methylnaphthalen-1(2H)-one Li-Enolate by TADDOLs

2000

A series of nine TADDOLs (=α,α,α′,α′-tetraaryl-1,3-dioxolane-4,5-dimethanols) 1a – 1i, have been tested as proton sources for the enantioselective protonation of the Li-enolate of 2-methyl-1-tetralone (=3,4-dihydro-2-methylnaphthalen-1(2H)-one). The enolate was generated directly from the ketone (with LiN(i-Pr)2 (LDA)/MeLi) or from the enol acetate (with 2 MeLi) or from the silyl enol ether (with MeLi) in CH2Cl2 or Et2O as the solvent (Scheme). The Li-enolate (associated with LiBr/LDA, or LiBr alone) was combined with 1.5 – 3.0 equiv. of the TADDOL at −78° by addition of the latter or by inverse addition. 2-Methyl-1-tetralone of (S)-configuration is formed (≤80% yield) with up to 99.5% sele…

chemistry.chemical_classificationKetoneOrganic ChemistryEnantioselective synthesisProtonationSilyl enol etherBiochemistryMedicinal chemistryEnolCatalysisInorganic ChemistrySolventchemistry.chemical_compoundchemistryYield (chemistry)Drug DiscoveryPhysical and Theoretical ChemistrySelectivityHelvetica Chimica Acta
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