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：AnefficientroutetoprepareL-glucoseandL-galactoseisdescribed.TheL-sugarsareachievedbyusingthestrategyofswitchingthefunctionalgroupsatC1andC5ofD-glucoseandD-mannose.TheoxidationandreductionofthesilylenoletheratC1andthelead(IV)tetraacetatemediatedoxidativedecarboxylationatC5arethekeysteps.L-GlucoseandL-galactosearepreparedinaconvenientandinexpensiveway.

简介：NineteenL-N-2-hydroxyethylaminoacidsandL-N,N-bis(2-hydroxyethyl)aminoacidswerepreparedfromthereactionofchlorohydrinwithL-alanine,L-valine,L-leucine,L-isoleucine,L-phenylalanine,L-serine,L-thrcunine,L-glutamicacid,L-asparticacidandglycine.L-N,N,N’,N’-tetra(2-hydroxyethyl)cystinewaspreparedbythereactionofL-cystinewithchlorohydrin.

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.

简介：Anewbiflavonoid,stelleranol,wasisolatedfromtherootsofStellerachamaejasmeL..ItsstructurewasdeterminedbytheanalysisofMSandNMRdata,especially2DNMRspectra.

简介：新奇sesquiterpenoid，pterisemipol，从PterissemipinnataL被孤立。它的骨骼，也就是pterisane，被认为从protoilludane被重排，它的结构根据分光镜的分析被阐明。

简介：

简介：ByusingOH-terminatedpolyaryletherdendrimerandN-Fmoc-glycineasrawmaterials,thedendriticpolyarylether2-aminoacetate(G3-NH2)wassynthesizedviatwostepreactions.G3-NH2asamacroinitiatorforthering-openingpolymerizationofγ-benzylL-glutamateN-carboxyanhydridewasinvestigated.Itisfoundthattheresultingcopolymerspossessedrelativelyhighmolecularweightandnarrowmolecularweightdistribution(1.12

简介：ConformationofL-lysineinaqueoussolutionwasinvestigatedbylanthanideshiftprobes（Dy,Ho,Er,TmandYb）.Reilley’smethodwasemployedtoseparatethecontactanddipolarcom-ponentsofthe13Cparamagneticshifts.ThisstudyrevealsthatCαshifthasthelargestcontactcon-tributionwhiletheothercarbonshiftsaredominatedbythedipolarcontribution.TheaverageoverallconformationofL-lysineinaqueoussolutionisextendedwiththemolecularbackboneintransform.Inthecomplex,lanthanideioncoordinatestothecarboxylgroupwithLn—Obondlength2.2/nandthewholeligandislocatedoutsidethezero-dipolarshiftconeofthelanthanideion.Theelectronicspindensitydistributionontheligandnucleishowsthatthespinpolarizationisthepredominantmech-anismofthecontactinteractionfornucleiincloseproximitytotheboundlanthanideion.

简介：ThesolidcomplexesofCr(AA)2Cl3·nH2OofCrCl3withL-α-aminoacids(AA=Val,Len,Thr,Met,Arg,Phe,TryandHis)havebeenpreparedin95?EtOHmedium,andcharacterizedstructurallybyelementalanalysis,chemicalanalysis,IRspectraandTG-DTG.Theconstant-volumecombustionenergiesofthecomplexeshavebeendetermimedbyRBC-Ⅱtyperotating-bombcalorimeter.Thestandardenthalpiesofformationofthecomplexeshavebeencalculatedaswell,hwichare(-2543.16±3.71)(Val),(-2561.32±4.06)(Leu),(-2284.02±2.95)(Thr),(-1418.77±4.60)(Met(,(-3218.91±4.67)(Arg),(-2643.90±5.02)(Phe),(-1707.18±3.23)(Try)and(-2838.05±3.45)(His)kJ/mol,respectively.

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.

简介：

简介：8,8′-Dibromo-6,6′,7,7′-tetramethoxy-5,5′-diisopropyl-3,3′-oxydimethylenedinaphtho[2,1-b:2′,1′-d]furan,C32H30Br2O;M.W.=670;triclinic;spacegroupP1;a=8.896（2）,b=10.216（1）,c=10.423（1）A,α=108.48（1）,β=119.36（1）,γ=99.26（1）;V=723.5A3;Z=1,Dcal.=1.479g.cm-3.MoKα=28.11cm-1,F（000）=326,T=293K.Thestructurewassolvedbydirectmethodandfull-matrixleast-squaresrefinementconvergedatR=0.034for2377observedreflections.Theoxygenatominseven-memberedringexistsinadisorderedarrangement.Bothbisnaphthaleneandoxygen-containingfive-memberedringhaveplanarconformationswithdihedralangle6°,showingmarkedaromaticfeature.

简介：

简介：借助于G03W程序包,对系列氨基羧酸分子的羰基铼配合物进行了结构优化,并对其中的相关能量、键长、键角、布局数等进行了研究.计算结果表明：各配合物相对于羰基铼中间体均具有一定的稳定性;配体分子结构中含有杂环或者较多数目杂原子时,有形成相对更稳定配合物的趋势;配体分子结构中应含有适宜的间隔体,否则需经较大的结构扭转或局部原子的拥挤方可形成相应配合物.

简介：OpticallypureL-butyllactatewassynthesizedbynormaltransesterificationusingnafion-Hcatalystinmoderateyield.Variousreactionconditionswereinvestigated,includingthereactiontemperature,reactiontime,ratioofthestartingmaterialandamountofthenafioncatalyst.

简介：AF-5wassynthesizedthroughaconvergentmethod.ThekeystepwastheRobinsonannulationusingakeyintermediatepentylvinylketone.

简介：Tris)(η5-cyclopentadienyl-μ-carbonyl-iron)-μ3-nitrosylclusterwasobtainedfromthereactionofcyclopentadienyldicarbonylirondimerwithnitrogenmonoxideinxylene.Theclusterwascharacterizedbyelementalanalyses,IR,MSand1HNMR.Thecrystalstructureof[(η5-C5H5)(μ-CO)Fe]3(μ3-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.

简介：(-)-(5R,6S)-6-Acetoxyhexadecan-5-olide1,anaturalmosquitoattractantpheromone,wassynthesizedfromreadilyavailablealdehyde2andcyclopentanone3usingL-proline-catalyzedasymmetricaldolreactionasthekeystep.

简介：新alkylenedihydrofuranglycoside(1)从根被孤立桑属albaL.吠叫，与moracinM-3鈥?O-尾-一起d-glucopyranoside(2)，和moracinM-6，3鈥?di-O-尾-d-glucopyranoside(3)。化合物1作为2-methylene-3-methoxy-2被识别，5-dihydrofuran-4-O-尾-d-glucopyranoside根据包括1D和2DNMR的化学、分光镜的数据光谱分析。另外，1的抗氧化剂活动用1,1-diphenyl-2-picrylhydrazyl(DPPH)和2,2鈥?azinobis-3-ethylbenzothiazoline-6-sulphonic被评估酸(ABTS)试金。IC50价值分别地是2.49和0.45mg/mL。