An Expedient Method for Regioselective Methylation of Catechol Coumarins  

作　　者：LU Junxia WANG Ping HOU Jie ZOU Liwei CUI Pan YANG Ling GE Guangbo GONG Xiaojie 

机构地区：[1]College of Environmental and Chemical Engineering, Dalian University, Dalian 116622, P. R. China [2]College of Medical, Dalian University, Dalian 116622, P. R. China [3]Laboratory of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China [4]College of Basic Medical Sciences, Dalian Medical University, Dalian 116044, P. R. China

出　　处：《Chemical Research in Chinese Universities》2016年第5期786-791,共6页高等学校化学研究（英文版）

基　　金：Supported by the National Basic Research Program of China（No.2013CB531800）, the National Natural Science Foundation of China（Nos.81402822, 81302793） and the Science and Technology Project of Liaoning Province of China（No.2014204007）.

摘　　要：An expedient and efficient method for selective methylation of catechol coumarins by working with different alkalis under appropriate reaction conditions was reported. Esculetins were selectively methylated at position 6 and position 7 in good yields using CH3I in the presence of Nail and Na2CO3, respectively. However, daphnetins showed less regioselectivity under the same reaction conditions. Furthermore, the site preference for the methylation reaction was interpreted by the density functional theory at B3LYP/6-31 ＋G（d） level.An expedient and efficient method for selective methylation of catechol coumarins by working with different alkalis under appropriate reaction conditions was reported. Esculetins were selectively methylated at position 6 and position 7 in good yields using CH3I in the presence of Nail and Na2CO3, respectively. However, daphnetins showed less regioselectivity under the same reaction conditions. Furthermore, the site preference for the methylation reaction was interpreted by the density functional theory at B3LYP/6-31 ＋G（d） level.

关 键 词：Catechol coumarin Regioselective methylation Density functional theory 

分 类 号：O[理学]