Search results for "nucleophilic substitution"

showing 10 items of 72 documents

Study of aromatic nucleophilic substitution with amines on nitrothiophenes in room-temperature ionic liquids: are the different effects on the behavi…

2006

The kinetics of the nucleophilic aromatic substitution of some 2-L-5-nitrothiophenes (para-like isomers) with three different amines (pyrrolidine, piperidine, and morpholine) were studied in three room-temperature ionic liquids ([bmim][BF4], [bmim][PF6], and [bm(2)im][BF4], where bmim = 1-butyl-3-methylimidazolium and bm(2)im = 1-butyl-2,3-dimethylimidazolium). To calculate thermodynamic parameters, a useful instrument to gain information concerning reagent-solvent interactions, the reaction was carried out over the temperature range 293-313 K. The reaction occurs faster in ionic liquids than in conventional solvents (methanol, benzene), a dependence of rate constants on amine concentration…

Molecular StructureChemistryOrganic ChemistryInorganic chemistrySolvationImidazolesTemperatureIonic LiquidsStereoisomerismThiophenesMedicinal chemistryPyrrolidinechemistry.chemical_compoundKineticsReaction rate constantSolubilityNucleophilic aromatic substitutionMorpholineIonic liquidBoratesNucleophilic substitutionSolventsSolvent effectsAminesThe Journal of organic chemistry
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Nucleophilic attack by 2-pyridylpalladium(II) and platinum(II) complexes on the organic chlorides ClCH2R (R  COMe, CN, Ph, Cl)

1992

Abstract The 2-pyridyl complexes trans-[MCl(C5H4NC2)(PPh3)2] (M = Pd, 1a; M = Pt, 1b), [MCl(C5H4NC2)(dppe)] (M = Pd, 2a; M = Pt, 2b) and [M(dmtc)(C5H4NC2) (PPh3)] (M = Pd, 3a; M = Pt,3b) react with the chlorides ClCH2R(R  COMe, CN, Ph) to give cationic products containing the 2-pyridylium ligands (1-CH2R)C5H4NC2. The rate of nucleophilic displacement of the chloride ion from ClCH2R depends on the central metal (Pt > Pd), on the coordination geometry (1 ~ 3) and on the substituent R (COMe > CN > Ph for the reactions with 3b). Like 1b and 2b, complex 3b also reacts with dichloromethane to give [Pt(dmtc){(1-CH2Cl)C5H4NC2}(PPh3)]+. The reaction of the binuclear compound [{PdCl(μ-C5H4NC2,…

NitrileStereochemistryOrganic ChemistryCationic polymerizationchemistry.chemical_elementBiochemistryMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundPerchlorateChloroacetonechemistryNucleophileMaterials ChemistryNucleophilic substitutionPhysical and Theoretical ChemistryPlatinumCoordination geometryJournal of Organometallic Chemistry
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Triazolopyridines. 18. Nucleophilic substitution reactions on triazolopyridines; a new route to 2,2′-bipyridines

1997

Abstract The synthesis of some 5-, 6-, and 7-halogenotriazolopyridines is described, and their reactions with nucleophiles. The formation of 7,7′-bitriazolopyridines provides a new synthesis of 2,2′-bipyridines.

NucleophileChemistryOrganic ChemistryDrug DiscoveryNucleophilic substitutionOrganic chemistryBiochemistryTetrahedron
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Antimykotische wirkstoffe. XV. . Die halogensubstitution bei phenoxy-1,3,5-triazinen

1983

Durch die nucleophile substitution eines Chloratoms in 2, 4-Dichloro-6-diethylamino-1, 3, 5-triazine (1) mittels Halogenphenolen (2a-f) werden die 2-chloro-4-diethylamino-6-halogenphenoxy-1, 3, 5-triazine (3a-f) zuganglich. In Strukturtyp 3 finden sich Vertreter mit antimykotischer Wirksamkeit. Through the nucleophilic substitution of one chlorine atom in 2,4-dichloro-6-diethylamino-1,3,5-triazine (1) by halophenols (2a-f) the 2-chloro-4-diethylamino-6-halophenoxy-1,3,5-triazines (3a-f) are accessible. Structure 3 comprises representatives exhibiting antimycotic activity.

NucleophileChemistryOrganic ChemistryPolymer chemistryChlorine atomSubstitution (logic)Nucleophilic substitutionJournal of Heterocyclic Chemistry
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Kinetics and Mechanism of the Nucleophilic Substitution of Tellurium(II) Dialkanethiolates, Te(SR1)2 with Thiols, HSR2

2005

The equilibrium reaction between tellurium(II) dithiolates and thiols, Te(SR1)2 + 2 HSR2 ⇌ Te(SR2)2 + 2 HSR1 was studied by means of 1H- and 125Te NMR spectroscopy and ab initio quantum chemical methods. It was found that the reaction is catalyzed by Bronsted acids and bases, the catalytic activity corresponding to the strength of the respective acid or base. Investigation of the initial step of the reaction, Te(SR1)2 + HSR2 ⇌ Te(SR1)(SR2) + HSR1, showed it to proceed according to first order kinetics for Te(SR1)2, HSR2 and for the catalyst. Ab initio geometry optimizations and frequency calculations suggest [Te(SR1)(HSR1)(HSR2)]+ and [Te(SR1)2(SR2)]− to be stable intermediates and not tran…

Organic ChemistryInorganic chemistryAb initiochemistry.chemical_elementNuclear magnetic resonance spectroscopyBiochemistryTransition stateCatalysisInorganic ChemistryCrystallographychemistryNucleophilic substitutionChemical equilibriumTelluriumBrønsted–Lowry acid–base theoryPhosphorus, Sulfur, and Silicon and the Related Elements
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Modular Phosphole-Methano-Bridged-Phosphine(Borane) Ligands. Application to Rhodium-Catalyzed Reactions

2012

The synthesis of the phospholyl(phosphinoborane)methane air- and moisture-stable hybrid ligands 4a–f, starting from 1-phenylphospholes 1a–d, was performed via P–C bond coupling on the methano bridge. Two strategies were investigated, according to the phospholyl moiety used as a nucleophilic or an electrophilic reagent. In the first pathway, the phospholyl anions react with the easily available (chloromethyl)diphenylphosphine–borane 3 to afford ligands 4a–d in 29–67% isolated yields. In the second pathway, the phospholyl(dicyclohexylphosphinoborane)methane ligands 4e,f were synthesized in 18–23% yields, through a nucleophilic substitution on the cyanophosphole. Removal of the BH3 moiety on 4…

Organic ChemistryPhospholeDABCOBoraneMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundchemistryNucleophileElectrophileNucleophilic substitutionOrganic chemistryMoietyPhysical and Theoretical ChemistryPhosphineOrganometallics
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The Chemistry of [1,2,3]Triazolo[1,5- a] pyridines

2003

The reactivity of [1,2,3]triazolo[1,5-a]pyridines 1 is described. Triazolopyridines react with electrophiles in two contrasting ways, giving 3-substituted triazolopyridines 2, or products 3, resulting from triazolo ring opening with loss of molecular nitrogen. The triazolopyridines can be lithiated at -40 degrees C by lithium diisopropylamide in ether giving regiospecifically the 7-lithio derivative. Bromotriazolopyridines have activation towards nucleophilic substitution at position 5 and 7, and benzenoid inertness at position 6. The parent compound 1a is easily hydrogenated giving tetrahydrotriazolopyridine 11a in high yield; when the triazolopyridines have substituents, the hydrogenation…

PharmacologyPhotochemistryPyridinesSubstituentPyridinium CompoundsEtherGeneral MedicineTriazolesRing (chemistry)Lithium diisopropylamidechemistry.chemical_compoundchemistryCyclizationDrug DiscoveryElectrophileSolventsNucleophilic substitutionOrganic chemistryReactivity (chemistry)HydrogenationDerivative (chemistry)Journal of Enzyme Inhibition and Medicinal Chemistry
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Regioselective C–H amination of free base porphyrins via electrogenerated pyridinium-porphyrins and stabilization of easily oxidized amino-porphyrins…

2020

Four free base aminoporphyrins were synthesized in two steps via regioselective anodic nucleophilic substitution with pyridine followed by ring opening of the electrogenerated pyridinium with piperidine. The X-ray crystallographic structure of the unstable 2-aminotetraphenylporphyrin was solved. Protonation of this latter compound leads to the stable diiminium porphyrin salt.

Protonation010402 general chemistry01 natural sciencesCatalysischemistry.chemical_compound[CHIM.ANAL]Chemical Sciences/Analytical chemistryPyridinePolymer chemistryMaterials ChemistryNucleophilic substitution[CHIM.COOR]Chemical Sciences/Coordination chemistryAmination[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryMetals and AlloysFree base[CHIM.MATE]Chemical Sciences/Material chemistryGeneral ChemistryPorphyrin0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialschemistryCeramics and CompositesPyridiniumPiperidineChemical Communications
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An Experimental and Computational Study on the Effect of Al(OiPr)3 on Atom-Transfer Radical Polymerization and on the Catalyst-Dormant Chain Halogen …

2005

International audience; Compound Al(OiPr)3 is shown to catalyze the halide-exchange process leading from [Mo(Cp)Cl2(iPrN=CH-CH=NiPr)] and CH3CH(X)COOEt (X=Br, I) to the mixed-halide complexes [Mo(Cp)ClX(iPrN=CH-CH=NiPr)]. On the other hand, no significant acceleration is observed for the related exchange between [MoX3(PMe3)3] (X=Cl, I) and PhCH(Br)CH3, by analogy to a previous report dealing with the RuII complex [RuCl2(PPh3)3]. A DFT computation study, carried out on the model complexes [Mo(Cp)Cl2(PH3)2], [MoCl3(PH3)3], and [RuCl2(PH3)3], and on the model initiators CH3CH(Cl)COOCH3, CH3Cl, and CH3Br, reveals that the 16-electron RuII complex is able to coordinate the organic halide RX in a…

Radical polymerizationHalide010402 general chemistryPhotochemistry01 natural sciencesCatalysisAdductLewis acid catalysisNucleophilic substitution[CHIM.COOR]Chemical Sciences/Coordination chemistryLewis acids and bases010405 organic chemistryAtom-transfer radical-polymerizationChemistryOrganic ChemistryGeneral ChemistryHalide exchange[CHIM.CATA]Chemical Sciences/Catalysis0104 chemical sciencesLewis acid catalysis[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallography[CHIM.POLY]Chemical Sciences/PolymersDensity functional theoryDensity functional theoryHalogen atom transfer
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Regioselective substitution of 6,7-dichloroquinoline-5,8-dione: synthesis and X-ray crystal structure of 4a,10,11-triazabenzo[3,2-a]fluorene-5,6-dion…

2003

6,7-Dichloroquinoline-5,8-dione (1) was reacted with a number of 2-aminopyridine derivatives. Of the several possible products of this reaction, 4a,10,11-triazabenzo[3,2-a]fluorene-5,6-dione (6), produced by condensation and rearrangement, was obtained as the major product, and its structure was subsequently unambigously determined by X-ray crystallographic study. Ortho-quinones were produced via nucleophilic substitution at position C7, which was unexpected, considering that para-quinones were produced via C6 substitution in the reaction between compound 1 and ethyl acetoacetate in our previous work. Such unexpected nucleophilic substitution at C7 provides an effective, yet simple route, t…

StereochemistryClinical BiochemistryPharmaceutical ScienceAntineoplastic AgentsCrystallography X-RayBiochemistryMedicinal chemistryChemical synthesisInhibitory Concentration 50chemistry.chemical_compoundNucleophilic aromatic substitutionDrug DiscoveryTumor Cells CulturedNucleophilic substitutionHumansMolecular BiologySubstitution reactionFluorenesMolecular StructureOrganic ChemistryQuinonesRegioselectivityStereoisomerismQuinonechemistryDoxorubicinEthyl acetoacetateQuinolinesMolecular MedicineAcid hydrolysisDrug Screening Assays AntitumorBioorganic & Medicinal Chemistry
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