学科分类
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305 个结果
  • 简介:Reactionsofthe6-hydroxy-thiopyrano[3,4-c]pyridine-5-carbonitrilederivative1withα-halo-carbonylcompoundsgavetheortho-substitutedintermediates2a-cwhichwereconvertedintofuro[2,3-b]thiopyrano[4,3-d]pyridines3a-cbyfusionofafuranmoietyunderbasicconditions.Furthercyclizationof3a-cledtoafusionofapyrimidinering,yieldingthetetracyclicproducts6,7and8.Inaddition,condensationof6withvariousaromaticaldehydesaffordedthecorrespondingimines9a,b.Mannichreactionof7gaveproducts10a,b.

  • 标签: Synthesis AROMATIC ALDEHYDES products MANNICH reaction
  • 简介:利用Gaussian-94计算程序中的B3LYP方法,在6-311+G(2d)6d基组下,对Si5,Si5H3,Si5H6,Si5Li3和Si5Na3原子簇的几何结构进行优化和频率计算.结果表明,Si5原子簇中最稳定的具有D3h对称性的结构中,位于同一平面上的3个Si原子确实具有剩余的成键能力,可以与3个H,Li,Na原子和6个H原子形成稳定的化合物.研究还发现,虽然H,Li和Na都属同一主族,但它们与Si5原子簇中Si原子的键连方式却不同,而且它们的加入,对Si5原子簇的'三角双锥'结构也有不同的影响.

  • 标签: Si5H3 Si5H6 Si5Li3 Si5Na3 硅原子簇 结构
  • 简介:Tris)(η5-cyclopentadienyl-μ-carbonyl-iron)-μ3-nitrosylclusterwasobtainedfromthereactionofcyclopentadienyldicarbonylirondimerwithnitrogenmonoxideinxylene.Theclusterwascharacterizedbyelementalanalyses,IR,MSand1HNMR.Thecrystalstructureof[(η5-C5H5)(μ-CO)Fe]33-NO).C4H8OwasdeterminedbyX-raydiffractionanalysis.ItcrystallizesintheorthorhombicspacegroupPnma,a=9.053(2),6=10.545(2),c=22.525(4)A,V=2150.3(7)A3,Z=4,Dc=1.68g.cm-3;structuresolutionandrefinementbasedon1141reflectionswithI>3.0(I)(MoKa,A=0.71073A)convergedatR=0.0540.Theinfraredabsorptionbandat1325cm-1oftheμ3-NOinthecluster,whichisredshifted,showsthatμ3-NOisactivated.

  • 标签: NITROSYL complexes iron CLUSTER NO activation.
  • 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.

  • 标签: 合成 抗菌活性 4-氨基-3-(1-芳基-5-甲基-1 2 3-三唑-4-基)-1 3 4-噻重氮 衍生物
  • 简介:3,5,6,8-Tetrahydro-4H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4-ones(7)weresynthesizedviathebasecatalyticreactionsofaminesorphenolswithcarbodiimides(5),whichwereobtainedfromtheaza-Wittigreactionsofiminophosphoranes(4)witharomaticisocyanates.

  • 标签: 反应合成 膦亚胺 四氢 噻吩 嘧啶 碳二亚胺
  • 简介:一系列5-phenyl-3H-spiro[indoline-3,2-[1,3,4]thiadiazol]-2-one类似物被综合并且他们的Bcl-2蛋白质禁止的活动被学习。铅混合物原来用荧光被识别基于极化的竞争有约束力的试金。在调查的10混合物之中,1k分别地显示出好有约束力的亲密关系到Bcl-xL和Mcl-1,与8.9mol/L和3.4mol/L的抑制常数。当复合1c完成了紧密的有约束力的亲密关系到Bcl-xL时(Ki=0.16mol/L),有潜力是新铅混合物。

  • 标签: 类似物 生物学评价 合成 苯基 吲哚 二氢
  • 简介:Novelsulfur-containingcompounds(3a–3c,4a–4c)wereobtainedinethanolwith1,3-diphenyl-2-propanoneasthestartingmaterial.Theadvantagesofthisprocedureweremildreactionconditions,simpleprotocol,andhighyields.ThestructuresoftheproductswerecharacterizedbyIR,1HNMR,MSandelementaryanalysis.Thecrystalofthenewcompound4abelongstomonoclinic,spacegroupC2witha=18.727(3),b=6.5179(9),c=13.7576(18),b=131.0610(10)°,V=1266.2(3)A3,Z=2,Dc=2.136g/cm3,μ=1.078mm-1,F(000)=843,R=0.0490andwR=0.1247for3211observedreflectionwithI>2δ(I).X-rayanalysisrevealsthatthemoleculeisnotsymmetrical,themolecularstructureisstabilizedbyweakp–pstackinginteractions,andnoclassicalhydrogenbondscanbeobserved.

  • 标签: 硫醇 苄基 显示 合成 寺院 结构稳定
  • 简介:Thesynthesisof(S)-2-(3-arylacrylamido)-3-{4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenyl}propanoicacidsisdescribed.TheirstructureswereconfirmedbyH-NMR.

  • 标签: 丙酸 合成方法 分子结构 核磁共振
  • 简介:Ahomologousseriesof4’-methylphenyl4"-[(4-alkoxy-2,3,5,6-tetrafluorophenyl)ethynyl]-benzoateshavebeensynthesized.Polarizingmicroscopictexturalobservationshowsthatsuchcompoundsexhibitenantiotropicnematicphase.

  • 标签: Liquid crystal 1 4-tetrafluorophenylene SYNTHESIS NEMATIC
  • 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.

  • 标签: 1 2 4-Triazole ary ISOCYANATE REARRANGEMENT
  • 简介:在这个工作,它被介绍任务的应用象对3-amino-5-aryl-2,5-dihydropyridazines的合成的可溶的支持咸的特定的onium。这可溶的支持具有宽适用性并且没有它的限制,溶液阶段化学把稳固的阶段合成的优点与那些相结合。在一个简单的洗步骤以后,产品从支持被劈开并且在好收益获得了。

  • 标签: 固相合成 可溶性 氨基 芳基 鎓盐 适用性
  • 简介:Halfsandwichirondicarbonylcomplex[η5-C5H3(t-Bu)2]Fe(CO)2Cl(1)reactswith1,2-dilithiumdiselenocarboraneLi2Se2C2B10H10(2)togiveabinuclearironcarboranecomplex[η5-C5H3(t-Bu)2]2Fe2(CO)3*Se2C2B10H10(3).TheX-raydiffractionanalysisofcomplex3revealsthatoneoftheironatomsischiral.

  • 标签: Carborane Halfsandwich IRON complex Chirality Molecular
  • 简介:Anovelseriesofpyrido[1,2-e]purin-4(3H)-onederivativescontainingpolarsubstituentson5'-positionweredesignedandpreparedaspotentialPDE5inhibitors.Thispaperreportsthesyntheticroutes,1H-NMRdata,andthePDE5inhibitoryactivitiesofthetargetcompounds.Thepolarpiperazinylgroupcontained(on5'-position)compound,3B2,showedthehighestactivityamongthetestedderivativesbutlesspotencythansildenafil1.

  • 标签: 嘌呤 衍生物 抑制剂 磷酸二酯酶 合成方法
  • 简介:多代替的dihydrofurans是为自然产品和药品的合成的珍贵中介。可观的注意集中于发展有效并且为他们的准备的regioselective方法。把K2CO3用作一个底,与fur-2-oylmethyltriphenylarsonium溴化物1的反应和乙醇2-acetyl-3-arylacrylate2在在房间温度的tetrahydrofuran,我们发现一个有效协议被完成综合trans-3-aryl-4-carbethoxy-2,3-dihydro-2-fur-2-oyl-5-methylfurans3在有高stereoselectivity的好产量。化合物3的结构被红外,1HNMR,MS和HRMS证实。为3的形成的机制被建议。

  • 标签: 选择性铅版合成 叶立德 氢化砷 二氢呋喃
  • 简介:Anewμ3-Otriiron(Ⅲ)complex[Fe3O(OBz)6(CH3OH)3](NO3)(CH3OH)2(HOBZ=benzoicacid)hasbeensynthesized,itsstructurehasbeendeterminedandvariabletemperaturemagneticsusceptilityhasalsobeenmeasured.Inthemolecule,threeironatomsformedanequilateraltrianglewithu3-Oincenter.ThefittingtothemagneticsusceptibilityshowedthatanintramolecularantiferromagneticexchangeinteractionoccurredbetweenironatomswithJ=-25.51cm-1,andaweakerintermolecularantiferromagneticexchangeinteractionoccurredwithzJ’=-2.30cm-1.

  • 标签: Crystal STRUCTURE MAGNETIC exchange triiron complex.
  • 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: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:一系列2,4,5-triaryl在vitro作为ALK5禁止者代替了1H-pyrazol-3(2H)-ones,,是desigened,综合并且评估。大多数混合物在1μmol/L展出了显著ALK5抑制活动并且没在30μmol/L显示重要cytotoxicities。

  • 标签: 激酶 抑制剂 合成 生物评估 吡唑
  • 简介:利用水热法首次合成了具有两种配位环境Cd原子的新型杂多蓝化合物[NH3(CH2)2NH3]5[Cd(H2O)][CdMo12^vO30(HPO4)6(H2PO4)2]·5H2O.通过元素分析、ICP、TG和X射线单晶衍射确定了其组成,使用IR和EPR进行了结构表征.通过N2吸附脱附测定了比表面积和孔径,为催化研究提供了基础数据.结果表明:该晶体为三斜晶系,P-1,空间群;晶胞参数a=1.2002(2)nm,b=1.4651(3)nm,c=2.1192(4)nm,V=3.5642(12)nm^3,p=83.01(3)°,Z=2,F(000)=2932,R1=0.0300,wR2=0.0716.

  • 标签: 杂多蓝 水热合成 晶体结构 中孔材料