Search results for "ACETATE"

showing 10 items of 756 documents

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
researchProduct

Synthesis and crystal structure of {Rh2(O2CCH3)4·P(o-CH3OH6H4)Ph2}2. A novel dirhodium(II) monoadduct with intermolecular μ-oxo interactions

1997

Abstract We have investigated the reaction of dirhodium tetraacetate with the phosphine P( o -CH 3 OH 6 H 4 )Ph 2 (P) under different experimental conditions. From these reactions we have been able to isolate the dirhodium tetraacetate phosphine mono-adduct. The crystal structure shows that in the solid state this compound forms a centrosymmetric dimer of the dimer, {Rh 2 (O 2 CCH 3 ) 4 ·P(0-CH 3 OC 6 H 4 )Ph 2 } 2 , in which we oxygen atom from one acetate group in one Rh 2 (O 2 CCH 3 ) 4 ·P unit is axially coordinating one Rh atom on another Rh 2 (O 2 CCH 3 ) 4 · P unit (Rh⋯) 2.347(3) A intermolecular versus Rh⋯O 2.455(3) A intermolecular), and vice versa. The RhRh bond distance is 2.414…

StereochemistryDimerIntermolecular forceSolid-stateCrystal structureMedicinal chemistryDirhodium tetraacetateInorganic ChemistryBond lengthchemistry.chemical_compoundchemistryAtomMaterials ChemistryPhysical and Theoretical ChemistryPhosphineInorganica Chimica Acta
researchProduct

Adducts of Tellurium Tetrachloride with Allyl Alcohol and Allyl Acetate:  1,2- vs 1,3-Addition and Structure and Dynamics of Te···O Interactions in D…

2002

The compounds Cl 3 Te[CH 2 CH(Cl)CH 2 O(H)...].Cl 2 Te[-CH 2 CH(Cl)CH 2 O-] (1) and Cl 3 Te-[CH 2 CH(CH 2 Cl)OC(CH 3 )=O...] (2) were prepared by the reaction of TeCl 4 with allyl alcohol and allyl acetate, respectively. Their molecular and crystal structures were investigated by single-crystal X-ray analysis, 1 H- 1 H-NOESY experiments, IR spectroscopy, and ab initio geometry optimization. 1 is a composite compound, whose subunits Cl 2 Te[-CH 2 CH(Cl)-CH 2 O-] (1A) and Cl 3 Te[CH 2 CH(Cl)CH 2 O(H))...] (1B) are linked in the solid state via Te...Cl-Te and O...H-O bridges. Both Te atoms are involved in similar five-membered rings, having a covalent Te-O bond in one case (1A) and a dative Te…

StereochemistryOrganic ChemistryAb initioHexacoordinateNuclear magnetic resonance spectroscopyCrystal structureMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundchemistryAllyl acetateIntramolecular forceTellurium tetrachloridePhysical and Theoretical ChemistryAllyl alcoholOrganometallics
researchProduct

Anti-inflammatory and antiallergic activity in vivo of lipophilic Isatis tinctoria extracts and tryptanthrin.

2006

The effects of a supercritical CO2 (SFE) extract, a dichloromethane (DCM) extract from Isatis tinctoria leaf and the alkaloidal constituent tryptanthrin were studied in acute and subchronic experimental models of inflammation. The SFE and DCM extracts showed anti-inflammatory activity in the carrageenan-induced acute mouse paw oedema (ED50 values of 78 mg/kg and 165 mg/kg P. O., respectively) and in the acute tetradecanoylphorbol acetate (TPA)-induced mouse ear oedema in oral (62% and 32% oedema reduction at 100 and 125 mg/kg, respectively) and topical application (37% and 33% reduction of oedema at 0.5 mg/ear). In contrast, tryptanthrin showed no significant anti-inflammatory effect. The D…

Stereochemistrymedicine.drug_classAnti-Inflammatory AgentsPharmaceutical ScienceAdministration OralPharmacognosyPharmacologyAdministration CutaneousCarrageenanAnti-inflammatoryAnalytical Chemistrylaw.inventionchemistry.chemical_compoundMiceIn vivolawDrug DiscoveryAnti-Allergic AgentsmedicineHypersensitivityAnimalsEdemaIsatisED50Pharmacologybiologybusiness.industryPlant ExtractsOrganic ChemistryIsatisbiology.organism_classificationCarrageenanPlant LeavesComplementary and alternative medicinechemistryTetradecanoylphorbol AcetateQuinazolinesMolecular MedicineTetradecanoylphorbol AcetateFemalePhytotherapybusinessDrugs Chinese HerbalPhytotherapyPlanta medica
researchProduct

Immunoassays for trifloxystrobin analysis. Part I. Rational design of regioisomeric haptens and production of monoclonal antibodies

2014

Trifloxystrobin is one of the main active principles belonging to the strobilurin family of crop protection compounds. In this article, the synthesis of a battery of regioisomeric functionalized derivatives of trifloxystrobin is described. The same aliphatic linear carboxylated chain was introduced as spacer arm in all of the synthesized haptens, but it was located at different positions of the parent molecule. N,N′-Disuccinimidyl carbonate was employed for hapten activation, so the resulting N-hydroxysuccinimyl ester could be readily purified and efficiently coupled to proteins. After immunization and hybridoma generation, a collection of 20 mouse monoclonal antibodies from different immun…

Stereochemistrymedicine.drug_classFungicideEnzyme-Linked Immunosorbent Assaychemical and pharmacologic phenomenaAcetatesMonoclonal antibodyAnalytical ChemistryMiceIsomerismRegioisomeric haptensmedicineStrobilurinAnimalsImmune responseImmunoassayMolecular StructureChemistryRational designAntibodies MonoclonalGeneral MedicineDerivatization siteStrobilurinsFungicides IndustrialActive esterStrobilurinMethacrylatesImmunizationIminesSelectivityHaptenHaptensFood Science
researchProduct

Anti-Inflammatory Activity of Unusual Lupane Saponins fromBupleurum fruticescens

1998

Extracts from Bupleurum fruticescens were examined for oral and topical anti-inflammatory activities. The BuOH extract proved to be active against carrageenan and tetradecanoylphorbol acetate acute edemas and allowed the isolation of three saponins identified by spectroscopic techniques as 3 beta-O-(O-alpha-L-rhamnopyranosyl-(1-->4)-O-[beta-D-glucopyranosyl- (1-->6)]-O-beta-D-glucopyranosyl)lup-20(29)-ene-23,28-dioic acid (fruticesaponin A), 3 beta-O-(O-alpha-L-rhamnopyranosyl-(1-->4)-O-beta-D-glucopyranosyl) lup-20(29)-ene-23,28-dioic acid 28-O-beta-D-glucopyranosyl ester (fruticesaponin B), and 3 beta-O-(O-alpha-L-rhamnopyranosyl-(1-->4)-O-[beta-D-glucopyranosyl- (1-->6)]-O-beta-D-glucopy…

Stereochemistrymedicine.drug_classSaponinPharmaceutical SciencePharmacognosyAnti-inflammatoryAnalytical Chemistrylaw.inventionMiceStructure-Activity Relationshipchemistry.chemical_compoundlawDrug DiscoverymedicineAnimalsEdemaMoietyPharmacologychemistry.chemical_classificationPlants Medicinalbusiness.industryAnti-Inflammatory Agents Non-SteroidalOrganic ChemistrySaponinsTriterpenesCarrageenancarbohydrates (lipids)Complementary and alternative medicinechemistryTetradecanoylphorbol AcetateMolecular MedicineFemaleArachidonic acidPhytotherapybusinessPlanta Medica
researchProduct

Iron(III) bis(pyrazol-1-yl)acetate based decanuclear metallacycles: synthesis, structure, magnetic properties and DFT calculations

2016

The synthesis, structural aspects, magnetic interpretation and theoretical rationalizations for a new member of the ferric wheel family, a decanuclear iron(III) complex with the formula [Fe10(bdtbpza)10(μ2-OCH3)20] (1), featuring the N,N,O tridentate bis(3,5-di-tert-butylpyrazol-1-yl)acetate ligand, are reported. The influence of the steric effect on both the core geometry and coordination mode is observed. Temperature dependent (2.0–300 K range) magnetic susceptibility studies carried out on complexes 1 established unequivocally antiferromagnetic (AF) interactions between high-spin iron(III) centers (S = 5/2), leading to a ground state S = 0. The mechanism of AF intramolecular coupling was…

Steric effects010405 organic chemistryChemistryStereochemistryLigand010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical sciencesInorganic ChemistryCrystallographyiron complexesIntramolecular forcemetallacyclesmedicineFerricAntiferromagnetismacetate ligandsmagnetic propertiesGround stateta116density functional theoryMagnetic interpretationmedicine.drugDalton Transactions
researchProduct

Gas chromatography of homologous esters

1984

Abstract The gas chromatographic retention behaviour of the propanoyl and monochloropropanoyl esters of saturated C3C5 branched-chain and unsaturated C3C6 alcohols on SE-30 and OV-351 capillary columns at several temperatures is reported. Retention index increments at 80 and 120°C show the effect of branching in the alkyl chain and also the effect of unsaturation and of its position in the chain with chlorination at the two possible positions in the acyl chain. The various incremental effects are discussed and compared with the behaviour of the corresponding n-alkyl esters.

Steric effectsCapillary actionCarboxylic acidchemistry.chemical_elementBranching (polymer chemistry)BiochemistryAnalytical ChemistryHomologous serieschemistry.chemical_compoundCapillary columnpolycyclic compoundsChlorineOrganic chemistryChlorine substituentAlkylchemistry.chemical_classificationDegree of unsaturationChromatographyOrganic ChemistryChloroacetatesGeneral MedicinechemistryAcyl chainKovats retention indexNon polarGas chromatographyAliphatic compoundJournal of Chromatography A
researchProduct

Kinetico-mechanistic studies of the acidolysis of Rh-C bonds in monocyclometallated dirhodium(II) acetato complexes; influence of electronic and ster…

2011

The protonation/demetallation reaction, in CD(3)COOD, of phosphine monometallated triacetato-bridged dirhodium(ii) complexes of general formulae [Rh(2)(μ-OOCCH(3))(3){(RC(5)CH(3))P(RC(6)H(4))(2)}(2)] has been studied from a kinetico-mechanistic perspective. The process has been monitored via the disappearance of the nuclear magnetic resonance signals of the protons present in the non-metallated ortho positions of the phosphine ligand and taking advantage of the relatively fast back metallation process that follows the acidolysis reaction, the sequence behaving as an overall equilibrium reaction. The process has a high associative character with important entropy demands, increasing both for…

Steric effectsMagnetic Resonance SpectroscopyMolecular StructureChemistryLigandPhosphinesProtonationAcetatesPhotochemistryLigandsMedicinal chemistryCarbonInorganic Chemistrychemistry.chemical_compoundElectrophilePolar effectMoleculeRhodiumChemical equilibriumElectronicsAcidsPhosphineDalton transactions (Cambridge, England : 2003)
researchProduct

Crystal structure of ethyl 2-(di-eth-oxy-phosphor-yl)-2-(2,3,4-tri-meth-oxy-phen-yl)acetate.

2014

The title compound, C17H27O8P, was prepared by Michaelis–Arbuzov reaction of ethyl 2-bromo-2-(2,3,4-trimethoxyphenyl)acetate and triethyl phosphite. Such compounds rarely crystallize, but single crystals were recovered after the initial oil was left for approximately 10 years. The bond angle of thesp3-hybridized C atom connecting the benzene derivative with the phospho unit is widened marginally [112.5 (2)°]. The terminal P—O bond length of 1.464 (2) Å clearly indicates a double bond, whereas the two O atoms of the ethoxy groups connected to the phosphorous atom have bond lengths of 1.580 (2) Å and 1.581 (3) Å. The three methoxy groups emerge out of the benzene-ring plane due to steric hind…

Steric effectschemistry.chemical_classificationcrystal structureCrystallographyMichaelis–Arbuzov reactionDouble bondChemistryHydrogen bondGeneral ChemistryCrystal structurephosphonoacetateCondensed Matter PhysicsBioinformaticsData ReportsBond lengthCrystalCrystallographyMolecular geometryQD901-999hydrogen bondsMichaelis–Arbuzov reactionGeneral Materials Sciencenon-merohedral twinActa crystallographica. Section E, Structure reports online
researchProduct