简介:标题化合物(C30H35N3)以4-甲基苯甲醛、环十二酮和3-甲基-1-苯基-1H-吡唑-5-胺,在三氟乙酸和醋酸的作用下,经微波辐射合成得到.其结构通过单晶X射线衍射法确定,晶体属单斜晶系,空间群P21/c,相对分子质量Mr=437.61,晶胞参数a=1.08926(11)nm,b=2.1927(2)nm,c=1.04954(14)nm,V=2.4641(5)nm3,Z=4,晶胞密度Dc=1.180g/m3,吸收系数μ=0.069mm-1,单胞中电子的数目F(000)=944.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R=0.0468,ωR=0.0905.在晶体结构中新形成的吡啶环为共平面结构.
简介:Twoseriesofmixedoxides,CoAlMandMgAlM(M=Cr,Mn,Fe,Co,Ni,Cu),werepreparedbycalciningtheircorrespondinghydrotalcite-likecompounds(HTLc).TheratioofMg:Al:M(orCo:Al:M)was3:1:1.ThecatalyticactivityofallsamplesforthereactionofNO+COwasinvestigated.TheresultsshowedthattheactivityofCoAlMwasmuchhigherthanthatofMgAlM.ThestructureandthepropertyofredoxwerecharacterizedbyXRDandH2-TPR.TheresultsindicatedthatonlyMgOphasewasobservedaftercalciningMgAlMhydrotalcites,andthetransitionmetalsbecamemorestable.Thespinel-likephaseappearedinallofCoAlMsamplesafterthecalcination,andthetransitionmetalswerechangedtobemoreactive,andeasilyreduced.TheactivitiesofthreeseriesofmixedoxidesCoAlCuobtainedfromdifferentpreparationmethods,differentratioofCo:Al:Cuandatdifferentcalcinationtemperatures,werestudiedindetailforproposingthemechanismofreaction.TheabilityofadsorptionofNOandCO
简介:Theabinitiomolecularorbitalmethodisemployedtostudytheenantioselectivereductionofacetophenonewithboranecatalyzedbythiszolidino[3,4-c]oxazaborolidine.Computationresultshowsthatthecontrollingstepforthereductionisthedecompositionofthecatalyst-alkoxyboraneadductandthereductionleadstoS-alcohols.ThetransitionatateofthehydridetransferfromtheboranemoietytothecarbonylcarbonofacetophenoneisatwistedchairstructurewithaB(2)-N(3)-BBH3-HBH3-CCo-OCO6-memberedring.
简介:SYNTHESISOF3-ARYL-1(2H,4H)ACRIDONESANDTHEIRDERIVATIVES¥RongYIN;GuangFanHAN;YuTianLI(DepartmentofMedicalLaboratory,JilinMediea...
简介:Theimportantintermediateforsynthesesofvariousanti-HIVnucleosideanalogues,methyl2,3-dideoxy-3-fluoro-6-O-(p-methylbenzoyl)-a-D-ribofuranoside,wassynthesizedstartingfrom2-deoxy-D-ribosein5stepswithanoverallyieldof24%.Thisstrategycanbealsousedforsynthesizingotheranalogueswithvarioussubstitutionsat3-Cposition.
简介:Thenanomaterialsoftenexhibitveryinterestingelectrical,optical,magnetic,andchemicalproperties,whichcannotbeachievedbytheirbulkcounterparts[1-7].Thedevelopmentofuniformnanometersizedparticleshasbeenintensivelypursuedbecauseoftheirtechnologicalandfundamentalscientificimportance[8-15].Itissignificantthatnanostructuredmaterialscanbecontrollablyassembledintotherequiredgeometryontosubstrates,becomingthebasisofthenextgenerationofcomponentsanddevices[16-31].Thedevelopmentofnewmethodsandstrategiesfororganizingthenanoparticlebasicbuildingblocksintothedesiredstructuresisrequired.Superlatticesmadefromthesebuildingblocksgiveustheopportunitytostudynotonlythepropertiesoftheindividualbuildingblocks,butalsocollectiveeffects.Thesuperparamagneticironoxidenanocrystals(NCs)havebeenusedinthefieldsofbio-medicine,ferrofluids,refrigerationsystem,catalysis,particularlyinmagneticresonanceimaging,tissueengineering,anddrugdeliveryapplications[32-42].
简介:Comparativemolecularfieldanalysis(CoMFA),athreedimensionalquantitativestructure-activityrelationship(3D-QSAR)methodwasappliedtoaseriesofdiindolylmethane(DIM)analogstostudytherelationshipbetweentheirstructureandtheirinductionofCYP1A1-associatedethoxyresorufin-O-deethylase(EROD)activity.ADISCOmodelofpharmacophorewasdervedtoguidethesuperpositionofthecompounds.Thecoefficientofcross-validation(q^2)andnoncross-validation(r^2)forthemodelestablishedbythestudyare0.827and0.988respectively,thevalueofvarianceratio(F)is103.53andstandarderrorestimate(SEE)is0.044.ThesevaluesindicatethattheCoMFAmodelderivedissignificantandmighthaveagoodpredictionforthecatalyticactivityofDIMcompounds.Asaconsequence,thepredictedactivityvaluesofnewdesignedcompoundswereallhigherthanthatofthereportedvalue.
简介:Thethermalbehavior,mechanismandkineticparametersoftheexothermicdecompositionreactionof3,3-bis(azidomethyl)oxetane/tetrahydrofuran(BAMO/THF)copolymerinamodehavebeeninvestigatedbymeansofDSC,TG-DTG,fastandlowerthermolysis/FrIRandTG-MS.Thereactionmechanismwasproposed.Theapparentactivationenergyandpre-exponentialconstantofexothermicdecompositionreactionofthecompoundat0.1MPaare167.04kJ·mol^-1and10^14.41s^-1,respectively.ThecorrespondingcriticaltemperaturesofthermalexplosionobtainedfromtheonsettemperatureTeandthepeaktemperatureTpare223.20and245.78℃,respectively.ThekineticequationoftheexothermicdecompositionprocessofBAMO/THFat0.1MPacouldbeexpressedas:dα/dT=10^15.19[-ln(1-α)^2/3e^-2.009×10^4/T
简介:Onenewsesquiterpenecompound,namely,illihenlactoneA(1),andonenewprenylatedC6–C3compound,illihenryioneH(2),alongwiththreeknownsesquiterpenes(3–5)wereisolatedfromthestemsofIlliciumhenryi.Thestructuresof1and2wereelucidatedbyspectroscopicevidenceincludingNMR,HRESIMSandcirculardichroism(CD).Compound2exhibitedaweakinhibitoryratioforbglucuronidasereleaseinducedbyplatelet-activatingfactor(PAF)inratpolymorphonuclearleukocytes(PMNs)invitro.
简介:Lophenol,cholest-4α-methyl-7-en-3β-ol(1),obtainedfromDracaenacochinchinensis(Lour.)S.C.Chen,wasstructurallymodified.Itwasacetylatedtoprotect3β-hydroxylgroup,andthenoxidisedbyseleniumdioxideinaceticacidtogivecholest-4a-methyl-8-en-3β,Ta-dioldiacetate(3).Thiscompound3isunstableinchloroformsolutionorwhenheatedandeasilyconvertedtoadienecompound,cholest-4a-methyl-7,14-dien-3β-olacetate(4).Thestructuresof3and4wereelucidatedbymeansofIR,^1HNMR,^13CNMRandMS,andtheabsoluteconfigurationof3wasestablishedbyX-raycrystallography.Thepropertyof3wasalsodiscussedinthispaper.Both3and4arenewcompoundsandwerereportedforthefirsttime.