4-甲氧基-6-甲基-7a-苯基苯并吡喃并[2,3-b]氮丙啶-7-酮的合成及晶体结构研究  

Synthesis and crystal structure of 4-methoxy-6-methyl-7a-phenyl-1a,7a-dihydro-benzopyrano[2,3-b]azirin-7-one

作　　者：王秋亚[1] 

机构地区：[1]渭南师范学院化学与材料科学学院

出　　处：《分子科学学报》2018年第1期34-39,共6页Journal of Molecular Science

基　　金：国家自然科学基金资助项目(21503150);陕西省教育厅科学研究计划项目(16JK1266);渭南师范学院校级重点项目(16YKF001);渭南师范学院校级人才项目(17ZRRC04)

摘　　要：通过5-甲基-7-甲氧基异黄酮与盐酸羟胺的缩合制得中间产物4-苯基-5-（2-羟基-4-甲氧基-6-甲基苯基）异恶唑,然后经过光异构化反应合成了4-甲氧基-6-甲基-7a-苯基苯并吡喃并[2,3-b]氮丙啶-7-酮,并采用IR,NMR,HRMS和单晶X-衍射分析对其结构进行了表征.单晶X-衍射分析结果表明：标题化合物属于单斜晶系,空间群P2（1）/n.在其晶体结构中,存在着氢键及芳香堆积作用,这些作用将标题化合物分子组装成了三维网络结构.In this paper,intermediate 4-phenyl-5-（2-hydroxy1-4-methoxy-6-methylphenyl）isoxazoles were first prepared by the condensation of 5-methy1-7-methoxyisoflavone and hydroxylamine hydrochloride,then the tile compound 4-methoxy-6-methyl-7 a-phenyl-1 a,7 a-dihydro-benzopyrano[2,3-b]azirin-7-one was synthesized via the photoisomerization reaction of 4-phenyl-5-（2-hydroxy1-4-methoxy-6-methylphenyl）isoxazoles.It was characterized by IR,NMR,HRMS and single crystal X-ray diffraction.Single crystal X-ray diffraction analysis results showed that the title compound belongs to monoclinic system with space group P2（1）/n.Hydrogen bonding and aromaticπ-πstacking interactions existed in the crystal structures of title compound,which assembled the molecules into three-dimensional networks.

关 键 词：5-甲基-7-甲氧基异黄酮 4-甲氧基-6-甲基-7a-苯基苯并吡喃并[2 3-b]氮丙啶-7-酮 晶体结构 氢键 芳香堆积 

分 类 号：O626[理学—有机化学]