Search results for "Deprotonation"

showing 10 items of 238 documents

VIOLURATO COMPLEXES OF Cr(III). SYNTHESIS AND CHARACTERIZATION. PROTONATION-DEPROTONATION EQUILIBRIA OF THE COORDINATED LIGANDS. EVIDENCE OF THE COOR…

1982

Abstract The formation of violurato complexes of Cr(III) has been studied in aqueous solution. Two compounds, [Cr(H2V)3].5H2O and Na[Cr(H2V)2(OH)2].4H2O have been synthesized and characterized. [Cr(H2V)3] behaves in aqueous solution as a triprotic acid but it can also add a proton yielding [Cr(H2V)2(H3V)]+. The acidity constants of this species have been determined: pKa1 =3.32, pKa2 =4.25, pKa3 =4.83 and pKa4 =6.99 (25°C, 0.1 M NaC1O4). [Cr(H2V)2(OH)2]− undergoes a deprotonation of the two H2V− ligands and a protonation of the hydroxo ligands. The acidity constants of [Cr(H2V)2(H2O)2]+ have been also determined: pKa1 =3.5, pKa2 =4.6, pKa3 =7.1 and pKa4 =9.2 (25°C, 0.1 M NaC1O4). The coordin…

Aqueous solutionProtonChemistryLigandStereochemistrychemistry.chemical_elementProtonationMedicinal chemistryChromiumDeprotonationMaterials ChemistryMoleculeVioluric acidPhysical and Theoretical ChemistryJournal of Coordination Chemistry
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Coordination properties of some nickel(II) monophosphono dipeptides species in aqueous solution: The role of phosphonic oxygen in complex stabilizati…

2008

Abstract Equilibrium studies on the nickel(II) complexes of oxygen and nitrogen donor ligand (monophosphono dipeptides: 1- (N- l -leucylamino)methylphosphonic acid – Leu-Gly(P), and a thioether sulfur donor ligands (monophosphono dipeptides: 1-N-(glycyloamino)-2-(S-benzylthio)ethanephosphonic acid – Gly-(Bz)Cys(P), d (−) and Gly-(Bz)Cys(P), d (+) were performed by potentiometric titration and NIR–Vis spectroscopy. Additionally, the ligand-field parameters (CFM/AOM) were estimated and discussed in the tetragonal distortion framework. The lowest tetragonal distortion was observed in the case of the [NiHL] species, whereas the strongest in the case of [NiL2] species. In the latter species the …

Aqueous solutionintegumentary systemChemistryLigandMetal ions in aqueous solutionPotentiometric titrationInorganic chemistrychemistry.chemical_elementMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundNickelDeprotonationThioetherMaterials ChemistryPhysical and Theoretical ChemistryMethylphosphonic acidPolyhedron
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Deprotonation of Thiophenes Using Lithium Magnesates.

2005

Abstract Thiophene was regioselectively deprotonated at C2 on treatment with 1/3 equiv of Bu3MgLi in THF at room temperature. The lithium arylmagnesate formed was either trapped with electrophiles or cross-coupled in a ‘one-pot’ procedure with aryl halides under palladium catalysis. 2-Chlorothiophene and 2-methoxythiophene were similarly deprotonated at C5 under the same reaction conditions. The enhancement of the reactivity of the base using TMEDA was evidenced using 1H NMR spectroscopy.

ArylOrganic Chemistrychemistry.chemical_elementGeneral MedicinePhotochemistryBiochemistryMedicinal chemistryCatalysischemistry.chemical_compoundDeprotonationchemistryDrug DiscoveryElectrophileThiopheneReactivity (chemistry)LithiumPalladiumChemInform
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Trienediolates of hexadienoic acids in synthesis. Addition to unsaturated ketones. A convergent approach to the synthesis of retinoic acids

1995

Abstract The regioselectivity of the addition of the lithium trienediolates generated from hexa-2,4dienoic acids 1 and 2 or the dihydropyran-2ones 4 and 5 to unsaturated ketones 6 is studied. Equilibration conditions favour reaction of the trienediolates through their ω carbon, and the ketones according to 1,2- and 1,4-additions. β-Ionone 6a and the aryl-butenone 6b lead to the 1,2-ω-adducts 8 , which undergo a facile acid catalyzed dehydration to retmoic acids 11 . On reaction with the unsaturated ketone 6b or with the aryl ketones 21 , the trimethyldihydropyran-2one S leads to γ-adducts derived from deprotonation of the chain methyl mbstituent along with the 1,4-ω-adducts.

ArylOrganic Chemistrychemistry.chemical_elementRegioselectivitymedicine.diseaseBiochemistrychemistry.chemical_compoundDeprotonationchemistryAcid catalyzedUnsaturated ketoneDrug DiscoverymedicineOrganic chemistryLithiumDehydrationCarbonTetrahedron
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ChemInform Abstract: Trienediolates of Hexadienoic Acids in Synthesis. Addition to Unsaturated Ketones. A Convergent Approach to the Synthesis of Ret…

2010

Abstract The regioselectivity of the addition of the lithium trienediolates generated from hexa-2,4dienoic acids 1 and 2 or the dihydropyran-2ones 4 and 5 to unsaturated ketones 6 is studied. Equilibration conditions favour reaction of the trienediolates through their ω carbon, and the ketones according to 1,2- and 1,4-additions. β-Ionone 6a and the aryl-butenone 6b lead to the 1,2-ω-adducts 8 , which undergo a facile acid catalyzed dehydration to retmoic acids 11 . On reaction with the unsaturated ketone 6b or with the aryl ketones 21 , the trimethyldihydropyran-2one S leads to γ-adducts derived from deprotonation of the chain methyl mbstituent along with the 1,4-ω-adducts.

Arylchemistry.chemical_elementRegioselectivityGeneral Medicinemedicine.diseaseTerpenechemistry.chemical_compoundDeprotonationchemistryAcid catalyzedmedicineOrganic chemistryLithiumDehydrationCarbonChemInform
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Non-Innocent Base Properties of 3- and 4-Pyridyl-dithia- and Diselenadiazolyl Radicals : The Effect of N-Methylation

2018

International audience; Condensation of persilylated nicotinimideamide and isonicotinimideamide with sulfur monochloride affords double salts of the 3-, 4-pyridyl-substituted 1,2,3,5-dithiadiazolylium DTDA cations of the general formula [3-, 4-pyDTDA][Cl][HCl] in which the pyridyl nitrogen serves as a noninnocent base. Reduction of these salts with triphenylantimony followed by deprotonation of the intermediate-protonated radical affords the free base radicals [3-, 4-pyDTDA], the crystal structures of which, along with those of their diselenadiazolyl analogues [3-, 4-pyDSDA], have been characterized by powder or single-crystal X-ray diffraction. The crystal structures consist of “pancake” π…

Base (chemistry)Radicalsuolat (yhdisteet)free radicals02 engineering and technologyCrystal structure010402 general chemistryMetathesistriflate saltsvapaat radikaalit01 natural sciencesMedicinal chemistryChlorideInorganic ChemistrydimersDeprotonationrikkiyhdisteetmedicinePhysical and Theoretical Chemistryta116dithiadiazoleschemistry.chemical_classificationIntermolecular forceFree base[CHIM.MATE]Chemical Sciences/Material chemistryN-methylation021001 nanoscience & nanotechnology0104 chemical sciencesoligomeerichemistry0210 nano-technologymedicine.drug
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Acid–Base Properties and Surface Charge Distribution of the Water-Soluble Au102(pMBA)44 Nanocluster

2016

The pKa of the p-mercaptobenzoic acid (pMBA) ligands in the Au102(pMBA)44 nanocluster was measured by using acid–base and IR titration. The observed macroscopic pKa = 6.18 ± 0.05 is significantly more basic than that of free pMBA (pKa = 4.16), and the protonation behavior is anticooperative according to the Hill coefficient n = 0.64 ± 0.04. The cluster is truly water-soluble when more than 22 and insoluble when fewer than 7 ligands are in the deprotonated state. In order to obtain more insight into the anticooperative character, the cluster was modeled at pH ∼6.2 using constant pH molecular dynamics simulations. The pKa values of the individual pMBAs are in the range of 5.18–7.58, depending…

Base (chemistry)acid–base propertiesInorganic chemistryProtonation02 engineering and technology010402 general chemistry01 natural sciencescharge distributionMolecular dynamicsDeprotonationCluster (physics)Surface chargePhysical and Theoretical Chemistryta116chemistry.chemical_classificationChemistryCharge density021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsGeneral EnergyPhysical chemistryTitration0210 nano-technologygold nanoclustersJournal of Physical Chemistry C
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Diorganotin(IV) N-acetyl-L-cysteinate complexes: synthesis, solid state, solution phase, DFT and biological investigations.

2009

Diorganotin(IV) complexes of N-acetyl-L-cysteine (H(2)NAC; (R)-2-acetamido-3-sulfanylpropanoic acid) have been synthesized and their solid and solution-phase structural configurations investigated by FTIR, Mössbauer, (1)H, (13)C and (119)Sn NMR spectroscopy. FTIR results suggested that in R(2)Sn(IV)NAC (R = Me, Bu, Ph) complexes NAC(2-) behaves as dianionic tridentate ligand coordinating the tin(IV) atom, through ester-type carboxylate, acetate carbonyl oxygen atom and the deprotonated thiolate group. From (119)Sn Mössbauer spectroscopy it could be inferred that the tin atom is pentacoordinated, with equatorial R(2)Sn(IV) trigonal bipyramidal configuration. In DMSO-d(6) solution, NMR spectr…

Binding SitesMolecular StructureLigandStereochemistryCell SurvivalSpectrum Analysischemistry.chemical_elementAntineoplastic AgentsNuclear magnetic resonance spectroscopyBiochemistryMedicinal chemistryAcetylcysteineCell LineInorganic Chemistrychemistry.chemical_compoundTrigonal bipyramidal molecular geometryDeprotonationchemistryMössbauer spectroscopyOrganotin CompoundsOrganotin(IV) FTIR Mössbauer NMR DFT Antitumor activityHumansDensity functional theoryCarboxylateTinJournal of inorganic biochemistry
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Colorimetric sensing of anions by a neutral biphenyl based amide receptor

2006

A new colorimetric sensor for fluoride is described. Compound 1 shows an open structure and its behaviour is compared with that of two related closed compounds 2 and 3. In all cases, the red colour developed in the presence of fluoride can be related to deprotonation processes, however ligand 1 gives rise to a faster colour change than 2 or 3 because of its higher flexibility. Other halides as well as carboxylates have been studied and the stoichiometry and complexation constants for the corresponding ligands have been determined.

BiphenylChemistryLigandOrganic ChemistryInorganic chemistryHalidePhotochemistrylcsh:QD241-441chemistry.chemical_compoundDeprotonationlcsh:Organic chemistryAmideReceptorFluorideStoichiometryArkivoc
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Biphenyl macrolactams in anion complexation. Selective naked-eye fluoride recognition

2004

Two colorimetric anion sensors 1 and 2 allow for the selective differentiation of fluoride in the presence of other anions. Two different types of species have been observed in the complexation process, one of them is a co-ordination complex and the other is a salt generated by ligand deprotonation. The deprotonation reaction induces a conformational change, giving rise to a symmetrical species. This species is responsible for colour development. Ligand 3 has a similar structure and does not give rise to any colour modification due to presence of the dimethylamino groups in the biphenyl moiety. The X-ray structure of ligand 2 is also reported and compared with that of ligand 1, that had bee…

Biphenylchemistry.chemical_classificationConformational changeStereochemistryLigandOrganic ChemistrySalt (chemistry)BiochemistryMedicinal chemistrychemistry.chemical_compoundDeprotonationchemistryDrug DiscoveryMoietyNaked eyeFluorideTetrahedron
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