Synthesis, Crystal Structure and Biological Activities of Phenyl(6-phenyl-3-p-tolyl-6,7-dihydro-5H-[1,2,4]triazolo-[3,4-b][1,3,4]thiadiazin-7-yl)methanone  

作　　者：DING Qi-Chun ZOU Yi-Hui LI Qiu-Ling HUANG Jian-Jun ZHANG Li-Xue YIN Hui-Yong 丁其春;邹毅辉;李秋玲;黄建军;张力学;尹慧勇(Department of Pharmacy,Zhangzhou Health Vocational College,Zhangzhou 363000,China;College of Chemistry and Materials Engineering,Wenzhou University,Wenzhou 325027,China;CAS Key Laboratory of Nutrition,Metabolism and Food Safety,Shanghai Institute ofNutrition and Health,Chinese Academy of Sciences(CAS),Shanghai 200031,China;Key Laboratory of Food Safety Risk Assessment,Ministry of Health,Beijing 100021,China)

机构地区：[1]Department of Pharmacy,Zhangzhou Health Vocational College,Zhangzhou 363000,China [2]College of Chemistry and Materials Engineering,Wenzhou University,Wenzhou 325027,China [3]CAS Key Laboratory of Nutrition,Metabolism and Food Safety,Shanghai Institute ofNutrition and Health,Chinese Academy of Sciences(CAS),Shanghai 200031,China [4]Key Laboratory of Food Safety Risk Assessment,Ministry of Health,Beijing 100021,China

出　　处：《Chinese Journal of Structural Chemistry》2020年第8期1531-1538,1362,共9页结构化学（英文）

基　　金：supported by the grants from Zhangzhou Natural Science Foundation of China(No.ZZ2018J39);The work reported in this manuscript has been granted a Chinese Patent(No.ZL201710632570.6)。

摘　　要：The title compound phenyl(6-phenyl-3-p-tolyl-6,7-dihydro-5 H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl)methanone(PTM),designed using 4-amino-3-p-tolyl-1H-1,2,4-triazole-5(4 H)-thione as the starting material,was successfully synthesized via a two-step synthesis route and finally characterized by NMR,FT-IR,single-crystal X-ray diffraction and mass spectrometry techniques.The crystal structure of trans-PTM was obtained from X-ray diffraction:C24H20N4OS,Mr=412.52,monoclinic system,space group P21/c,a=16.650(3),b=13.876(3),c=8.812(2)A,β=100.340(3)°,V=2002.8(7)A^3,F(000)=865,Z=4,Dc=1.3680 g/cm^3,λ=0.71073A,μ=0.186 mm^-1 and the final R=0.0786 for 3514 unique reflections with 2044 observed ones(Ⅰ>2σ(Ⅰ)).The biological activities of antimicrobial and regulation of plant growth of PTM were investigated.The results indicated that PTM showed weak antimicrobial activity on Bacillus pumilus,while promoted the growth of radish and inhibited that of wheat in a dose-dependent manner.Therefore,PTM may be developed as a potential drug to promote the growth of dicotyledonous plants or as an herbicide to inhibit that of monocotyledonous plants in the future.

关 键 词：SYNTHESIS 1 2 4-TRIAZOLE triazolothiadiazine crystal structure FT-IR NMR biological activity 

分 类 号：O626[理学—有机化学]