学科分类
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500 个结果
  • 简介:5-Amino-1,10-phenanthrolineandthreetypesofnew5-substituted1,10-phenanthrolinederivativesbydifferentalkylamides,phen-NHCOR[phen=1,10-phenanthrolineR=CH=CH2;(CH2)nBr,n=1,3-5(CH2)nCH3,n=9--14],weresynthesized.Theywerecharacterizedbymeansofelementalanalyses,infraredspectroscopy,protonnuclearmagneticresonancespectroscopy,andmassspectroscopy.Thesenewcompoundsareimportantligandsortheactivematerialsofruthenium(Ⅱ)electrochemiluminescent(ECL)sensors.

  • 标签: 5-氨基-1 10邻二氮杂菲衍生物 氨基化合物 综合性 特性
  • 简介:ThecatalyticactivityofFe/ZSM-5fortheselectivereductionofNOtoN2withmethaneinthepresenceofexcessO2wasstudied.Fe/ZSM-5catalystswithvariousFeloadingswerepreparedbyimpregnationmethod.ItiswellknownthatmethaneisinactivewhenFe/ZSM-5asthecatalystfortheselectivecatalyticreduction(SCR)ofNOwithmethane.However,thispapershowsthatwhenthecontentofFewasabout0.5%,Fe/ZSM-5showedhighercatalyticactivityandselectivityofmethane,andputforwardmeasurableactivationforCH4isanimportantfactorforthereactionofremovalofNOxwithCH4.

  • 标签: CATALYTIC activity Fe/ZSM-5 SELECTIVE CATALYTIC REDUCTION
  • 简介:Sulfonylureaherbicideshavebeenwidelyusedbecauseoftheirlowapplicationrates,goodcropselectivitiesandlowmammaliantoxicities.However,somesulfonylureasmightpersistunfavourablyintheenvironmentwithresidualproblems.Inordertolookforecologicallysaferandenvironmentallybenignsulfonylureas,andonkeepingthepyrimidineringbeingmonosubstituted,15novelC5-monosubstitutedbenzenesulfonylureacompoundsweresynthesized.Thestructuresofallthecompoundssynthesizedwereconfirmedbyelementalanalysisand1HNMR.PreliminaryherbicidalactivitiesofthesenewsulfonylureacompoundsweredeterminedbyALSscreening(invitro)andpotbioassayexperiments(invivo).TheherbicidalresultsshowthatsomenovelsulfonylureasarecomparabletocommercialForamsulfuronandMonosulfuron.

  • 标签: 5-取代苯磺脲 除草活性 除草剂 合成
  • 简介:Thetitlecomplex,[La(baec)1/2(H2btec)1/2(H2O)]n(H4btec=1,2,4,5-benzenetetracarboxylicacid)(1)wassynthesizedbythehydrothermalreactionof1,2,4,5-benzenetetracarboxylicdianhydridewithLa(NO3)3·6H2OinH2O,andcrystallizesinthetriclinicsystem,spacegroupP-1withα=0.64403(3)nm,b=0.94500(4)nm,c=0.96380(5)nm,α=88.535(2)°,β=100.314(2)°,γ=76.6470(10)°,V=1.69968(10)nm^3,Z=2,andfinalR=0.0274,Rw=0.0735.In1,eachLa(Ⅲ)ioniscoordinatedbyeightoxygenatomsfromsixcarboxylategroupsandonecoordinatedwatermolecule.TwodifferentcoordinstionmodesofH4btecwerePresentinthestructure,oneofwhichcontainstwoprotonatedcarboxylategrougpstobalancethecharge.

  • 标签: 水热合成 镧配合物 结构 1 2 4 5-苯四羧酸
  • 简介:标题化合物(C24H16N4S)以噻吩-2-甲醛、苯甲酰乙腈和3-甲基-1-苯基-1H-吡唑-5-胺为原料,在离子液体[bmim]Br溶剂中,在80℃搅拌合成得到.其结构通过单晶X射线衍射法确定,晶体属于三斜晶系,空间群P-1,相对分子质量Mr=392.47,晶胞参数a=0.93612(8)nm,b=1.03063(12)nm,c=1.16624(16)nm,V=0.96853(19)nm3,Z=2,晶胞密度Dc=1.346g/cm3,吸收系数μ=0.185mm-1,单胞中电子的数目F(000)=408.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R=0.0585,wR=0.1337.在晶体结构中新形成的吡啶环与吡唑环近似于共平面结构.

  • 标签: 吡啶-5-甲腈 合成 晶体结构
  • 简介:Thesupramolecularinclusioncompoundofβ-cyclodextrin(β-CD,host)with(η5-cyclopentadienyl)tricarbonylmanganese[MnCp(CO)3,guest]wasobtainedinacrystallinestate.Thehost-guestcompoundisthermallystableanddonotliberatetheguestonheatingat100$invacuum.Itwascharacteriedbyelementalanalysis,1HNMR,differentialscanningthermal(DSC)analysisandTLC.ContinueousvariationplotbyNMRmethodshowsthatβ-CDformed1:1inclusioncompoundwithMnCp(CO)3.Onthebasisof1HNMRspectraandthemodelbuildingwithCoreyPaulingKoltum(CPK)models,themostprobableinclusionmodeisproposed.

  • 标签: INCLUSION COMPOUND Β-CYCLODEXTRIN SUPERMOLECULE
  • 简介:5-溴-2′-脱氧尿苷通过1,2,4-三唑和硫代乙酸在温和的条件下合成4-硫-5-溴-2′-脱氧尿苷,再通过单溴二胺(monobromobimanes,mBBR)对5-溴-4-硫-2′-脱氧尿苷4位硫的亲电反应,合成了用单溴二胺(monobromobimanes,mBBR)标记的5-溴-4-硫-2′-脱氧尿苷,并利用1HNMR核磁共振、质谱和紫外光谱对它们的结构进行了表征,并对它的荧光光谱进行分析和研究.此化合物可以产生极高的荧光特性,由此提供了一条对人体中5-4-硫-2′-脱氧尿苷的检测途径.

  • 标签: 5-溴-2′-脱氧尿苷 单溴二胺(mBBR) 荧光标记 合成
  • 简介:AseriesofnovelN-(3-furan-2-yl-1-phenyl-1H-pyrazol-5-yl)amidesderivativesweredesignedandsynthesized.Theirstructureswereconfirmedby1HNMR,13CNMRandHRMS.Alltitlecompoundswereevaluatedfortheirherbicidalandantifungalactivities.Preliminarybioassayresultsindicatedthatthetitlecompoundsshowedgoodtomoderateherbicidalactivityat1000mg/L.Compound6qpresentedthebestactivityagainstDigitariasanguinalis(L)Scop.,AmaranthusretroflexusL.andArabidopsisthalianawithaninhibitiondegreeoffive.Compound6dalsoshowedaninhibitiondegreeoffiveagainstD.sanguinalis.Inaddition,at50mg/L,mostcompoundsexhibitedgoodinvitroantifungalactivityagainstSclerotiniasclerotiorum,withcompound6cshowingover90%antifungalactivityagainstS.sclerotiorumandPelliculariasasakii.

  • 标签: 酰胺衍生物 生物活性 设计合成 除草活性化合物 抗真菌活性 油菜菌核病
  • 简介:通过5-甲基-7-甲氧基异黄酮与盐酸羟胺的缩合制得中间产物4-苯基-5-(2-羟基-4-甲氧基-6-甲基苯基)异恶唑,然后经过光异构化反应合成了4-甲氧基-6-甲基-7a-苯基苯并吡喃并[2,3-b]氮丙啶-7-酮,并采用IR,NMR,HRMS和单晶X-衍射分析对其结构进行了表征.单晶X-衍射分析结果表明:标题化合物属于单斜晶系,空间群P2(1)/n.在其晶体结构中,存在着氢键及芳香堆积作用,这些作用将标题化合物分子组装成了三维网络结构.

  • 标签: 5-甲基-7-甲氧基异黄酮 4-甲氧基-6-甲基-7a-苯基苯并吡喃并[2 氮丙啶-7-酮 晶体结构 氢键 芳香堆积
  • 简介:Anovelflower-likehydratedmagnesiumcarbonatehydroxide,Mg_5(CO_3)_4(OH)_2·4H_2O,withmicro-structurecomposedofindividualthinnano-sheetswassynthesizedusingafacilesolutionroutewithouttheuseoftemplateororganicsurfactant.Reactiontimehasanimportanteffectonthefinalmorphologyoftheproduct.Themicro-structureandmorphologyofMg_5(CO_3)_4(OH)_2·4H_2OwerecharacterizedbymeansofX-raydiffractometry(XRD),field-emissionscanningelectronmicroscopy(FE-SEM).Brunauer-Emmett-Teller(BET)surfaceareasofthesampleswerealsomeasured.Theprobableformationmechanismofflower-likemicro-structurewasdiscussed.ItwasfoundthatMg_5(CO_3)_4(OH)_2·4H_2Owithflower-likemicro-structurewasanovelandefficientcatalystforthesynthesisofdiphenylcarbonate(DPC)bytransesterificationofdimethylcarbonate(DMC)withphenol.

  • 标签: 碳酸镁氢氧化 合成 微观结构 催化活性 酯交换反应
  • 简介:3-(2-Hydroxyphenyl)-6-(4-nitrophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine,C16H11N5O3S,waspreparedbythecyclizationof3-(2-hydroxyphenyl)-4-amino-5-mercapto-1,2,4-triazolewith2-bromo-4-nitroacetophenone.Thecompoundwascharacterizedbymeansofelementalanalysis,IR,1HNMR,13CNMR,massspectrometry,andX-raydiffraction.ThecompoundcrystallizesinamonoclinicsystemwithspacegroupCc,a=2.1853(4)nm,b=2.1192(5)nm,c=1.3526(3)nm,β=95.21(2)°,V=6.238(2)nm3,Dcalcd.=1.505Mg/m3,Z=16,F(000)=2916,R1=0.0501,wR2=0.0427.Acomparisonbetweenthecrystalstructuresof1,2,4-triazolo[3,4-b][1,3,4]thiadiazineand1,2,4-triazolo[3,4-b][1,3,4]thiadiazolewasmadeinthestructuralview.Atwo-dimensionalnetworkisformedbyhydrogenbondsandπ-πstackinginteractions.

  • 标签: 晶体结构 [1 3 4]噻二嗪 制备 光谱表征 Π-Π相互作用
  • 简介:FournewtaxanediterpenoidswereisolatedfromthebarkofTaxusyunnanensis.Theirstructureswereelucidatedasthenewskeletonwith5/7/6/4memberedringsbyspectralanalysisand2DNMRshiftcorrelationexperiments.

  • 标签: skeleton membered TAXUS BENZOYL belongs fused
  • 简介:Afacilesyntheticroutetotwoseco-eudesmane,4,5-dioxo-10-epi-4,5-seco-γeudesmane(1)and4,5-dioxo-10-epi-4,5-seco-γ-eudesmol(2)from(+)-dihydrocarvonehasbeendescribed.Avoidingexpensivereagents,thishighlyeconomicmethodespeciallysuitsforthesynthesisof4,5-seco-eudesman-typeandophianon-typesesquiterpeneswithadoublebondatposition11and12.

  • 标签: 4 5-二氧-桉叶烷 二氢香芹酮 倍半萜烯 合成方法
  • 简介:为isoxazolo的合成的一个快速、有效的方法[5,4-d]pyrimidin-4(5H)在与固体的常规加热和没有溶剂的微波照耀下面与orthoesters通过5-aminoisoxazole-4-carboxamides的出租机动三轮车冷凝作用被开发了酸催化。在比较,反应更快,收益在微波照耀下面是更高的。

  • 标签: 合成方法 异氮杂化合物 嘧啶 微波照射 传统加热
  • 简介:Yb3+complexeswithtwonitrilotriaceticacidmoleculeswerepreparedandtheircompositionsweredeterminedasK3[Yb(nta)2(H2O)]*5H2OandNa3[Yb(nta)2]*6H2Obyelementalanalyses.Theirstructureswerecharacterizedbysingle-crystalX-raydiffractionanalyses.IncomplexK3[Yb(nta)2(H2O)]*5H2O,theYbN2O7partformsanine-coordinatemonocappedsquareantiprismaticstructure.IncomplexNa3[Yb(nta)2]*6H2O,theYbN2O6partformsaneight-coordinatesquareantiprismaticstructure.Itcanbeseenthattheoutercations(K+andNa+)greatlyaffectthecoordinationnumberandcoordinatestructurefromtheseresults.

  • 标签: 次氮基三乙酸 镱配合物 合成 晶体结构 X射线衍射
  • 简介:采用UMP2/6-311+G(3df)方法研究了一系列化合物M_(n+1)F_n(n=1,2;M=Na,K)体系的几何构型及非线性光学性质(NLO).结果表明:这些体系均为超价化合物,均拥有较大的第一超极化率(β_0).尤其是Na_3F_2体系中结构2c的β_0值为29.16×10~(-49)C~3·m~3·J~(-2),是已知超价化合物Li_3F_22c结构的β_0值2.22×10~(-49)C~3·m~3·J~(-2)的13.1倍.

  • 标签: 从头算 超价化合物 非线性光学性质