简介:Theorientationoftheadditionof5-amino-3-benzylthio-1,2,4-triazoleanditsanalogues(pyrazole)(1)withthearylisocyanatecanbedirectedbycontrollingthereactiontemperatureandoneoftheproduct,5-amino-1-arylaminocarbonyl-3-benzylthio-1,2,4-triazole(pyrazole)(2),canrearrangeat170Ctoanotherproduct,5-arylureylene-3-benzylthio-1,2,4-triazole(pyrazole)(3).Aplausiblemechanismexplanationforthisrearrangementreactionwaspresented.Itwassuggestedthattherearrangementreactioncouldbereferredtothethermodynamicstranspositionleadingtothepredominant5-arylureylene-3-benzylthio-1,2,4-triazoleenergypreferentially.
简介:2-Phenyl-1,2,3-triazole-4-formylhydrazine(2)waspreparedbyhydrazinolysisofthecorrespondingester1.Reactionof2withCS2/KOHgavetheoxadiazolederivatives(3)whichvia,Mannichreactionwithdifferentdialkylaminesfurnished3-N,N-dialkylderivatives(4a-c).Also,condensationof2withappropriatearomaticacidinPOCl3yieldedoxadiazolederivatives(5a-c),orwithaldehydesandketonesaffordedhydrazones(6a-c).Cyclizationof(6a-c)withaceticanhydridegavethedesireddihydroxadiazolederivatives(7a-c).Ontheotherhand,reactionofdithiocarbazate(8)withhydrazinehydrategavethecorrespondingtriazolederivative(9)whichontreatmentwithcarboxylicacidsinrefluxingPOCl3yieldeds-triazole[3,4-b]-1,3,4-thiadiazolederivatives(10a-b).ThestructuresofalltheabovecompoundswereconfirmedbymeansofIR,1HNMR,MSandelementalanalysis.
简介:Fourtriazoleenantiomersofdiclobutrazol(erythroform)(1),paclobutrazol(erythroform)(2),diniconazole(3)anduniconazole(4)havebeenseparatedbyhighperformanceliquidchro-matography(HPLC)onchiralstationaryphase(CSP)OA-4700.Chromatographicdataandachiralrecongnitionmodelarepresentedfortheseparationofthesepesticideenantiomers.Theinfluenceofcolumntemperatureandcompositionofmobilephasehavebeendescribed.
简介:Thetwocompounds,2,2-dimethyl-4-S-(N,N-dimethyldithiocarbamato)-5-(1,2,4-triazol-l-yl)-propione(1)and2,2-dimethyl-4-S-(N,N-diethyldithiocarbamato)-5-(1,2,4-triazol-1-yl)-3-propione(2),werepreparedbyreactingN,N-dialkyldithiocarbamatesodiumwith2,2-dimethyl-4-bromo-5-(1,2,4-triazol-1-yl)-propione.Theirstructureswereidentifiedbyelementalanalysis,IRand^1HNMRspectroscopy.Thestructureof1hasbeendeterminedbyX-raysinglecrystalstructureanalysis.ItcrystallizesinmonoclinicsystemwithspacegroupP21/c,a=1.2315(3)nm,b=1.2057(2)nm,c=1.2532(3)nm,β=118.55(3)°,Z=4,V=1.6345(6)nm^3,Dc=1.221g/cm^3,μ=0.324mm^-1,F(000)=640,finalR1=0.0449.ThereisobviouspotentiallyweakC—H...Nintermolecularinteractioninthecrystal,whichstabilizesthecrystalstructure.Theresultofthebiologicaltestshowedthatthetwocompoundshavefungistasisandplantgrowthregulatingactivities.
简介:[1]BASFUSP4479906[2]BASFBP1443541[3]BASFDE3618265[4]WangL.,WuZ.,ChinaLeather,26(8),11,(1997)[5]YuanL.,DinY.,ChineseChemistryBulletin,(2),19(1988)[6]KurokiH.,ChemistryofDyeingTheory(ChineseTranslation),TextileIndustryPress,Beijing,89(1982)[7]WangS.,LiP.,WuZ.DyestuffIndustry(Chinese),34(4),1,(1997)[8]Tian,Y.,Wu,Z.,Wang,G.,Zhang,S.J.ChineseChem.Eng.,46,156(1995)[9]Tian,Y.,Wang,G.,Wu,Z.,J.ChineseChem.Eng.,47,75(1996)[10]Lycka,A.,DyesandPigment,32,11(1996)[11]Griffith,J.,ColourandConstitutionofOrganicMolecules,AcademicPress,London,191(1976)
简介:Themononuclearcomplex,[NtCl2(trzCHzCHzCOPh)4]·6H2O(trz=1,2,4-triazole),wassynthesizedanditsstructurewasdeterminedbysinglecrystalX-raydetermination.Itcrystallizesinthemonoclinicsystem,spacegroupP21/c,withlatticepa-rameters:a=0.80391(2)nm,b=1.06215(2)nm,c=2.90133(2)nm,β=94.792(1)°andZ=2.EachnickelatomiscoordinatedbyfourNatomsoftriazolefromfourβ-(1,2,4-IriHole-1-yl)propiophenoneligandsandtwochlorideanionsinarrangementwithoctahedralcoordinationgeometry.Inadditiontothecoordinatingnickelcomplex,therearesixunco-ordinatedwatermolecules.TheNi—Ndistanceis0.24865(8)nmandtheNi—Ndistaneesareintherangeof0.2072(2)to0.2099(2)nm,respectively.Inthesolidstate,theUtiecom-poundformsthreedimensionalnetworkstructurethroughhy-drogenbonds.Theintermolecularhydrogenbondsconnectthe[NiCl2(C2H2N3CH2CH2COPh)4]andH2Omoieties.Thedeepgreencrystalswerealsoexaminedbyelementalanalysis,FT-IRandUVspectra,whichareinagreementwiththestructuralda-ta.
简介:Dibromobiphenylreactedwithcynomethylanioninammoniaunderirradiationtoformnucleophilicbis-substitutedproductinhighyieldwithoutsubstantialmonosubstitutedproduct.Quantumyieldsfortheformationsofbis-andmonosubstitutedproductswerefoundtobe85.6and2.3×10-6respectively,whilethecorrespondingpseudo-first-orderrateswere6.9×10-3and5.2×10-10mol.L-1.S-1.Blockupthepossibleelectrontransferof4-brome-4’-cyanomethylbiphenylylradicalanionto4-cyanometbyl-biphenylylradicalandbromineion.
简介:Thesynthesisofopen-fiameworkmetalphosphateshasbeenasubjectofintenseresearchowingtotheirinterestingstructuralchemistryandpotentialapplicationsasionexchangers,catalystsandadsorbents.Alargenumberofthesematerialsaresynthesizedinthepresenceoforganicaminesasstructure-directingagents.Recently,manyresearchactivitieshavefocusedonthesynthesisofinorganic-organichybridframeworks.Ascomparedwithinorganicligands,theadvantageofusingorganicmultidentateligandsistheefficacyofrationaldesignofcrystallinesolidsthroughtheircoordinatingpropensitiesandgeometries.
简介:Thesynthesisandphasebehaviorofaseriesof4’-alkyloxy-4-hydroxybiphenylswerediscribed.Theeffectsofreactionconditionsontheyieldsofproductswereinvestigated.Thecharacterizationsofthermotropicliquidcrystallineproductsforthetypeandthermalpropertiesarediscussedthroughtheuseofdifferentialscanningcalorimetry,polarizingmicroscopy.
简介:Thestructureofpolyimidefrom1,4-bis(3’,4’-dicarboxyphenoxy)benzeneand4,4’-oxydianilinefilmspecimensbeforeandafterhotstretchinghasbeeninvestigatedbyWAXD,DSCandFTIR.AsevidencedbyboththeWAXDandDSCresults,itcouldbebelievedthatstraininducedcrystallizationdidtakeplaceafterhotstretching.Meanwhile,shiftingpositionandsplittingofsomebandpeaksexistedontheFTIRspectrogramswereexplainedintermsoftheclosepackingofchainsandthechangesofinter-molecularcharge-transferinteractionbetweenimidegroupsandaromaticgroupsuponcrystallization.
简介:On △I=4 Bifurcation PhenomenaOn△I=4BifurcationPhenomena¥ZhangJingye;YangSunandMikeGuidryTheexperiments-bythenew7--raydetector...
简介:Emissionquenchingof[Ru(bpy)2(4,4’-dcbpy)](PF6)2(1)bybenzenamine,4-[2-[5-[4-[4-dimethylamino]phenyl]-4,5-di-hydro-1-phenyl-1H-pyrazol-3-yl]-ethenyl]-N,N-dimetyl(2)or1,5-diphenyl-3-(2-phenothiazine)-2-pyrazoline(3)wasobserved.Measurementsoftheemissiondecayof1beforeandafteradditionof2or3bysinglephotoncountingtechniquecon-finnedtheobservations.Theemissionquenchingof1by2or3wassubmittedtoStern-Volmerequation.Itwascalculatedthatthequenchingrateconstants(kq)are5.5×109(mol/L)-1s-1for2and4.0×109(mol/L)-1s-1for3,respectively.Theseresultsindicatedacharacterofdynamicquenchingprocess.Thesinglet-stateof2or3wasalsoquenchedby1.ThequenchingbehaviorsdidnotconformtotheStern-Volmerequationandinvolvedbothstaticanddynamicquenchingprocesses.Theapparentquenchingrateconstant(kapp)wascalculatedtobe3×109(mol/L)-1fortheinteractionofexcited2with1,and1.2×109(mol/L)-1forthatofexcited3wit
简介:Therearemoreandmorecountriestoakeanefforttothestudiesofvanadiumalloyforfusionapplication.NIFSinJapanhasrecentlydevelopedan80kgheatV4Cr4Tialloy(NIFS-heat2)aftertheproductionofa500kgscaleV4Cr4TiinU.S.severalyearsago.PropertyevaluationofthealloyhasbeenputintoaninternationalcollaborationprogramunderthecoordinationofIEA(InternationalEnergyAgency).SWIPhasjoinedthecollabrationonthehydrogenembrittlementresistanceevaluationofthealloyt.
简介:SinceitserliestyearsofR&D[1],theGEANT4simulationtoolkithasbeendevelopedfollowingsoftwareprocessstandardswhichdictatedtheoverallevolutionoftheproject.Thecomplexityofthesoftwareinvolved,thewideareasofapplicationofthesoftwareproduct,thehugeamountofcodeandCategorycomplexity,thesizeanddistributednatureoftheCollaborationitselfareallingredientswhichinvolveandcorrelatetogetherawidevarietyofsoftwareprocesses.Althoughin"production"andavailabletothepublicsinceDecember1998,theGEANT4softwareproduct[1]includesCategoryDomainswhicharestillunderactivedevelopment.Thereforetheyrequiredifferenttreatmentalsointermsofimprovementofthedevelopmentcycle,system,testingandusersupport,ThisarticleismeanttodescribesomeofthesoftwareprocessesastheyareappliedinGEANT4forbothdevelopment,testingandmaintenanceofthesoftware.
简介:Treatmentof4-amino-3-(1-aryl-5-methyl-1,2,3-triazol-4-yl)-5-mercapto-1,2,4-triazoles/2-amino-5-(1-aryl-5-methyl-1,2,3-triazole-4-yl)-1,3,4-thiadiazoleswithbenzaldehyde,acetoneandω-bromoacetophenonewastestedandcompared.ThetitlecompoundsSchiffbases,amides,imidazolo[2,1-b]-1,3,4-thiadiazolesand7H-s-triazolo[3,4-b]-1,3,4-thiadiazineshavebeenconfirmedbyelementalanalyses,^1HNMR,IRandMSspectra.AllthecompoundshavealsobeenscreenedfortheirantibacterialactivitiesagainstB.subtilis,S.aureusandE.coli.
简介:TheGAUDIsoftwareframeworkistobeusedforallevent-processingapplicationsintheLHCbexperiment.TheGEANT4toolkithasbeenintegratedintoGAUDItoformthebasisoftheLHCbsimulationprogramGAUSS.Thebenefitsofthisapproacharethatitpermitsre-useofbasicservices,suchaspersistency,interactivityanddatavisualization,aswellasphysicsalgorithmsthatwereoriginallydevelopedinthecontextofthereconstructionandanalysisprograms.FollowingtheGAUDIphilosophy,theintegrationhasbeenachievedbydevelopinganumberofserviceswithabstractinterfacesthatcanbepluggedinatrun-time.Wedescribetheoveralldesignanddetailsofthecomponentsforinterfacingthedetectorgeometry,theprimaryinteractionandtheoutputfromtrackingparticlesthroughthedetector.