Microwave Assistant Synthesis and Crystal Structures of Two Substituted Oxazole Isoxazole Carboxamides

• 作者: FU Ying GAO Shuang KANG Tao LIU Cheng-Guo WU Shi-Long YE Fei
• 来源期刊: 结构化学
• 年，卷（期）: 2020,（10）
• 所属期刊栏目: medicinal structural chemistry
• 页码范围: 1906-1911
• 页数: 6页
• 语种: 英文
• DOI: 10.14102/j.cnki.0254-5861.2011-2699

摘要

Two novel substituted phenyl oxazole isoxazole carboxamides have been synthesized by microwave assistant technology.The target compounds were characterized by IR,1H NMR,13C NMR and HRMS,and their single-crystal structures were further determined by X-ray diffraction.3-Phenyl-4-(2'-methyl-2'-isopropyl-1 ′,3′-oxazole)-5-methyl isoxazole carboxamide (6a) crystallizes in monoclinic system,space group P21/c with a =6.2137(12),b =19.923(4),c =13.748(3) (A),β =92.30(3)°,V =1700.6(6) (A)3,Dc =1.228 Mg/m3,Z =4,F(000) =672,μ(MoKa) =0.084 mm-1,R =0.0526 and wR =0.1259.3-(2'-Fluoro-6'-chloro-phenyl)-4-(2'-methyl-2'-ethyl-1',3'-oxazole)-5-methyl isoxazole carboxamide (6b) crystallizes in triclinic system,space group P(1) with a =7.8750(16),b =10.596(2),c =11.725(12) (A),β =102.05(3)°,V=859.5(3) (A)3,Dc =1.363 Mg/m3,Z=2,F(000) =368,μ(MoKa) =0.250 mm-1,R =0.0738 and wR =0.1941.Both of the molecules prefer to form crystal packing through C-H…O hydrogen bonds.Compounds 6a and 6b show safener activity on maize against the injury of chlorsulfuron.