[1-甲基-3,4-二氢异喹啉-2(1H)-基](2,4,6-三氯苯基)甲酮的合成及晶体结构  

Synthesis and crystal structure of(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(2,4,6-trichlorophenyl)methanone

作　　者：王一寓 党小琳[1] 李晓花[1] 高艳蓉 杜漠 WANG Yi-yu;DANG Xiao-lin;LI Xiao-hua;GAO Yan-rong;DU Mo(School of Pharmacy,Shaanxi Institute of International Trade&Commerce,Xianyang 712046,China;Xianyang Key Laboratory of Molecular Imaging and Drug Synthesis,Xianyang 712046,China)

机构地区：[1]陕西国际商贸学院医药学院,陕西咸阳712046 [2]咸阳市分子影像与药物合成重点实验室,陕西咸阳712046

出　　处：《精细与专用化学品》2024年第6期47-49,53,共4页Fine and Specialty Chemicals

基　　金：咸阳市分子影像与药物合成重点实验室项目(2021QXNL-PT-0008)。

摘　　要：报道一种结构新颖的异喹啉衍生物[1-甲基-3,4-二氢异喹啉-2(1H)-基](2,4,6-三氯苯基)甲酮(化合物1)的合成及单晶结构。在缩合剂2-(7-氮杂苯并三氮唑)-N,N,N′,N′-四甲基脲六氟磷酸酯作用下,1-甲基-1,2,3,4-四氢异喹啉(化合物2)与2,4,6-三氯苯甲酸(化合物3)发生酸胺缩合反应得到目标化合物1。考察并确定适宜的反应条件为:反应溶剂为N,N-二甲基甲酰胺、物料比n(化合物3)∶n(化合物2)=1.1∶1、在反应温度为50℃下反应6h,化合物1的收率达到75.5%(以化合物2计)。通过XRD单晶衍射对化合物1的单晶结构进行了表征。The synthesis and single crystal structure of a novel isoquinoline derivative(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)(2,4,6-trichlorophenyl)methanone(compound 1)was reported.In the presence of condensation agent 2-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate,the target compound 1 was obtained by the condensation reaction of 1-methyl-1,2,3,4-tetrahydroisoquinoline(compound 2)with 2,4,6-trichlorobenzoic acid(compound 3).The appropriate reaction conditions were determined as follows:when the reaction solvent was N,N-dimethylformamide,the material ratio was n(compound 3):n(compound 2)=1.1:1,and the reaction at 50℃for 6h,the yield of the product was 75.5%(calculated as compound 2).The single crystal structure of the product was characterized by XRD single crystal diffraction.

关 键 词：异喹啉衍生物 缩合反应 条件优化 单晶结构 

分 类 号：TQ463[化学工程—制药化工]