典型文献
Synthesis,Crystal Structure and Fungicidal Activity of 3,4-Dichloro-5-(6-chloro-9-(4-fluorobenzyl)-9H-purin-8-yl)isothiazole
文献摘要：
3,4-Dichloro-5-(6-chloro-9-(4-fluorobenzyl)-9H-purin-8-yl)isothiazole,a novel purine derivative,was synthesized by the cyclization of pyrimidine amine.Its structure was characterized by 1H NMR,13C NMR,19F NMR,H RMS and single-crystal X-ray diffraction.This compound 3 is crystallized from a mixed solvent of dichloromethane and n-hexane (1∶2,v/v) for structural identification as monoclinic crystal system,space group P21/n with a =11.66250(10),b =8.21300(10),c =17.77920(10) (A),V=1676.34(3) (A)3,Z =4,Dc =1.643 g/cm3,F(000) =832.0 and μ =6.301 mm-1.22315 reflections were measured (8.43≤2θ≤ 158.10°),of which 3532 were unique (Rint =0.0311) and used in all calculations.The final R =0.0334 (Ⅰ ＞ 2σ(Ⅰ)) and wR =0.0842 (reflections).The title compound showed over 50％ of growth inhibition against Botrytis cinereal,Cercospora arachidicola,Gibberella zeae,Rhizoctonia solani and Sclerotinia sclerotiorum at 50 mg/L,and its EC50 value against R.solani was 60.44 μmol/L,which was active at the same level as that of positive control diflumetorim with its EC50 value of 60.29 μmol/L and less active than YZK-C22 with its EC50 value of 12.32 μmol/L,respectively.Our studies discovered that the combination of bioactive substructures of isothiazole with purine could be an effective way to novel fungicide development.
文献关键词：
中图分类号：
作者姓名：
WANG Wei-Bo;LIU Xiao-Yu;LI Zhi-Xinyi;GAO Wei;LV You;LI Kun;GLUKHAREVA Tatiana V.;TANG Liang-Fu;FAN Zhi-Jin
作者机构：
State Key Laboratory of Elemento-organic Chemistry,College of Chemistry,Nankai University,Tianjin 300071,China;Frontiers Science Center for New Organic Matter,College of Chemistry,Nankai University,Tianjin 300071,China;School of Medicine,Nankai University,Tianjin 300071,China;Ural Federal University Named after the First President of Russia B.N.Yeltsin,Yeltsin UrFU 620002,Ekaterinburg,Russia
文献出处：
引用格式：
[1]WANG Wei-Bo;LIU Xiao-Yu;LI Zhi-Xinyi;GAO Wei;LV You;LI Kun;GLUKHAREVA Tatiana V.;TANG Liang-Fu;FAN Zhi-Jin-.Synthesis,Crystal Structure and Fungicidal Activity of 3,4-Dichloro-5-(6-chloro-9-(4-fluorobenzyl)-9H-purin-8-yl)isothiazole)[J].结构化学,2022(02):91-97
A类：
Fungicidal,fluorobenzyl,purin,isothiazole,cinereal,diflumetorim,YZK
B类：
Synthesis,Crystal,Structure,Activity,Dichloro,9H,novel,purine,derivative,was,synthesized,by,cyclization,pyrimidine,amine,Its,characterized,1H,NMR,13C,19F,RMS,single,ray,diffraction,This,compound,crystallized,from,mixed,solvent,dichloromethane,hexane,structural,identification,monoclinic,system,space,group,P21,Dc,cm3,reflections,were,measured,which,unique,Rint,used,calculations,final,wR,title,showed,growth,inhibition,against,Botrytis,Cercospora,arachidicola,Gibberella,zeae,Rhizoctonia,solani,Sclerotinia,sclerotiorum,its,EC50,value,same,level,that,positive,control,less,C22,respectively,Our,studies,discovered,combination,bioactive,substructures,could,effective,way,fungicide,development
AB值：
0.557978
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