摘要
通过三步反应合成了新化合物N-[2-(苯胺基)苯基]-2-甲氧基吡啶-3-甲酰胺(C19H17N3O2),其结构通过1H NMR、13C NMR和ESI-MS表征,晶体结构通过X-射线单晶衍射解析。其晶体属单斜晶系,空间群为P 121/n 1,晶胞参数为:a=10.6329(18)A,b=13.026(2)A,c=12.267(2)A;Z=4,V=1669.7(5)A^3,Mr=319.35,Dc=1.270 mg/m^3,S=1.027,F(000)=672,μ(Mo Kα)=0.085 mm^-1。分子间存在氢键N(3)-H(3)…O(2)对晶体结构起到稳定的作用。初步除草活性试验表明,化合物在3000g a.i/hm^2剂量时对稗草的茎叶处理抑制率为91.81%。
The novel compound N-[2-(phenylamino)phenyl]-2-methoxyl pyridine carboxamide(3)was synthesized via three steps,and its structure was characterized by 1H NMR,13C NMR,ESI-MS and X-ray diffraction.The crystal structure of this compound belongs to monoclinic system,space group P 121/n 1 with a=10.6329(18),b=13.026(2),c=12.267(2)A,Z=4,V=12.267(2)A^3,Mr=319.35,Dc=1.270 mg/m^3,S=1.027,F(000)=672,μ(Mo Kα)=0.085 mm^-1.X-ray crystal structure indicated the presence of intermolecular N(3)-H(3)…O(2)hydrogen bond in the molecule,which plays an important role in stabilizing the crystal structure.The preliminary herbicidal activity bioassay showed that the titled compound 3 had 91.81%inhibition against Barnyard grass at 3000 g a.i/hm^2.
作者
杨子辉
李婉
王雨华
陆海霞
郭林峰
杨科
Yang Zihui;Li Wan;Wang Yuhua;Lu Haixia;Guo Linfeng;Yang Ke(Zhejiang University of Technology,Hangzhou,310014;College of Pharmaceutical Science,Hebei University,Baoding,100193;Shan Dong Jinhuahai Biotechnology Co.,Ltd.,Jinan,251400;Dezhou Hospital of Traditional Chinese Medicine,Dezhou,253000;Hangzhou Economic and Technological Development Zone 14th Street,No.5 Hangzhou,310018;Building 8,No.1500 Zuchongzhi Rd.,Pudong,Shanghai,200120)
出处
《化学通报》
CAS
CSCD
北大核心
2020年第12期1127-1132,共6页
Chemistry
基金
国家自然科学基金项目(81803761)
浙江工业大学青年英才支持计划项目(GY18034148004)
中国博士后科学基金项目(2019M652144)资助。
关键词
吡啶甲酰胺
晶体结构
除草活性
稗草
Pyridine carboxamide
Crystal structure
Herbicidal activity
Barnyard grass
