学科分类
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254 个结果
  • 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.

  • 标签: 吡啶 合成 微波 晶体结构
  • 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

  • 标签: Hydrotalcite-like compounds NO reduction by CO
  • 简介:Theabinitiomolecularorbitalmethodisemployedtostudytheenantioselectivereductionofacetophenonewithboranecatalyzedbythiszolidino[3,4-c]oxazaborolidine.Computationresultshowsthatthecontrollingstepforthereductionisthedecompositionofthecatalyst-alkoxyboraneadductandthereductionleadstoS-alcohols.ThetransitionatateofthehydridetransferfromtheboranemoietytothecarbonylcarbonofacetophenoneisatwistedchairstructurewithaB(2)-N(3)-BBH3-HBH3-CCo-OCO6-memberedring.

  • 标签: 噻唑 Ab inito 量子化学 结构
  • 简介:Asimpleandeffcientmethodhasbeendevelopedforconversionofchalconeoximesto3,5-diarylisoxazolesinexcellentyieldsundersolvent-freeconditions.Thesynthesizedcompoundswerecharacterizedbyinfraredspectroscopy,1HNMR,13CNMRandHRMS.

  • 标签: 无溶剂条件 二醋酸碘苯 合成 红外光谱 HRMS NMR
  • 简介:SYNTHESISOF-ARYL-1(2H,4H)ACRIDONESANDTHEIRDERIVATIVES¥RongYIN;GuangFanHAN;YuTianLI(DepartmentofMedicalLaboratory,JilinMediea...

  • 标签:
  • 简介:Theimportantintermediateforsynthesesofvariousanti-HIVnucleosideanalogues,methyl2,3-dideoxy-3-fluoro-6-O-(p-methylbenzoyl)-a-D-ribofuranoside,wassynthesizedstartingfrom2-deoxy-D-ribosein5stepswithanoverallyieldof24%.Thisstrategycanbealsousedforsynthesizingotheranalogueswithvarioussubstitutionsat3-Cposition.

  • 标签: NEW method STEREOSELECTIVE synthesis 2 3-dideoxy-3-substituted-D-ribofuranoside
  • 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].

  • 标签: 纳米晶体 超晶格 自组装 四氧化三铁 纳米结构材料 超顺磁性氧化铁
  • 简介:为了推进,从抗菌剂fluoroquinolone(FQ)为移动扩展一条有效修改线路到antitumorFQ,标题混合物的二个系列基于有二的FQC3羧基的组的isostere熔化了杂环的戒指,[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine和pyrazolo[5,1-c][1,2,4]分别地,triazole被设计并且综合了从当前的抗菌剂FQ开始,并且他们的在里面对L1210的vitroantitumor活动,CHO房间线经由他们的各自的IC被评估

  • 标签: 体外抗肿瘤活性 氟喹诺酮类药物 杂环 合成 评价 IC50
  • 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.

  • 标签: 3D-QSAR COMFA CYPIAI 比较分子场分析 三维定量构效关系 模拟分析
  • 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

  • 标签: 3 3-二(叠氮甲基)环氧化物 四氢呋喃 共聚物 分解反应 反应动力学 热重分析
  • 简介:Onenewsesquiterpenecompound,namely,illihenlactoneA(1),andonenewprenylatedC6–C3compound,illihenryioneH(2),alongwiththreeknownsesquiterpenes(3–5)wereisolatedfromthestemsofIlliciumhenryi.Thestructuresof1and2wereelucidatedbyspectroscopicevidenceincludingNMR,HRESIMSandcirculardichroism(CD).Compound2exhibitedaweakinhibitoryratioforbglucuronidasereleaseinducedbyplatelet-activatingfactor(PAF)inratpolymorphonuclearleukocytes(PMNs)invitro.

  • 标签: 下线 服务 迁移
  • 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.

  • 标签: 胆甾基-4α-甲基-8-烃-3β 7α-二醇双乙酸盐 氧化反应 单晶体 生物活性 化学结构
  • 简介:在亲水性Fe3O4磁流体中,以甲基丙烯酸(MAA)为单体,N,N’-亚甲基双丙烯酰胺(MBA)为交联剂,采用光化学方法在水溶液体系中首先合成磁性聚甲基丙烯酸(PMAA)微球,进而在60℃下PMAA与稀土元素Dy离子反应合成具有荧光特性的磁性微球(FMPMs).运用振动样品磁强计(VSM),光子相关光谱仪,傅立叶变换红外光谱仪(FTIR)和热重-差热分析(TG-DTA)分别对微球的磁性能,平均水合粒径,化学组成和表面形貌进行了检测.结果表明,荧光磁性高分子微球有超顺磁性,呈很好的球形,表面含有丰富的稀土羧酸盐.

  • 标签: 荧光磁性高分子微球 甲基丙烯酸 光化学合成 制备 表征
  • 简介:通过对分子筛原粉添加黏结剂,制备出了适宜作为吸附材料的成型分子筛颗粒.随后对成型分子筛颗粒进行活性组分的负载,并采用氮气吸附等温线对不同样品的比表面积和孔径分布进行了分析表征.通过考察样品对氨气的动态吸附能力,对活性组分的种类和含量进行筛选和优化,最终确定以质量分数为8%的H_2SO_4作为分子筛基氨气吸附材料的配比组成.通过与活性炭吸附材料的对比发现,在低湿度和高湿度2种条件下,分子筛基防护材料对NH3的防护性能均优于活性炭.

  • 标签: ZSM-5分子筛 氨气 吸附 TICS