1-三氟甲基-β-咔啉-3-羧酸甲酯的合成与晶体结构研究  

Synthesis and Crystal Structrue of 3-carbomethoxy -1-trifluoromethyl- β- pyrido[3,4-b]indole

作　　者：黄小波[1] 高晶[2] 丁金昌[1] 刘妙昌[1] 

机构地区：[1]温州师范学院化学与材料科学学院,浙江温州325027 [2]大庆石油学院,黑龙江大庆163000

出　　处：《温州师范学院学报》2005年第2期59-62,共4页Journal of Wenzhou Teachers College(Philosophy and Social Science Edition)

基　　金：温州市科技局(No.G2004053)资助课题

摘　　要：用“一锅法”合成1-三氟甲基-β-咔啉-3-羧酸甲酯,通过1HNMR、13CHNM、IR及GC-MS对其结构进行表征,并利用单晶X射线衍射法测定其结构.该晶体属单斜晶系,空间群为P21/n,晶体学参数为:a=1.09191(7)nm,b=0.78212(6)nm,c=1.51663(10)nm;α=90°,β=99.013(3)°,γ=90°;Z=4,F(000)=600,R1=0.1407.3-carbomethoxy-1 -trifluoromethyl- β- pyrido[3,4-b]indole was synthesized by one-pot synthesis of tryptophan methyl ester hydrochloride 1 and trifluoroacetic acid (TFA) in 69% yield. The structrue of the title compound was determined by IR, 1H NMR, 13C NMR , GC-MS and X-ray diffraction analysis. Crystal data: monoclinic, space group P21/n, a = 1.09191(7)nm, b = 0.78212(6)nm, c = 1.51663(10)nm;α= 90°, β = 99.013(3)°, γ= 90°; Z = 4, F(000) = 600, R1 = 0.1407.

关 键 词：1-三氟甲基-β-咔啉-3-羧酸甲酯 一锅法 晶体结构 

分 类 号：O623.624[理学—有机化学]