α-(2,5-二甲基-3,4-二乙酰基吡咯基)萘的合成和晶体结构

Synthesis and crystal structure of α-(2,5-dimethyl-3,4-diacetyl-pyrryl) naphthaline

摘要: 在酸性介质中,3,4-二乙酰基-2,5-己二酮与萘胺作用,合成得到了α-(2,5-二甲基-3,4-二乙酰基吡咯基)萘,用IR,1H-NMR,MS,HRMS对其进行了表征,并用X射线衍射测定了α-(2,5-二甲基-3,4-二乙酰基吡咯基)萘的晶体结构.该晶体属三斜晶系,P1空间群,晶体学数据为:a是0.8045(1)nm,b是1.0018(1)nm,c是2.0757(2)nm,α是80.09(1)°,β是82.66(1)°,γ是83.81(1)°,V是1.6281(3)nm3,Z是4,Mr是305.36,Dc是1.246×103kg/m3,μ(MoKα)是0.080mm-1,F(000)是648,在I2σ(I)的独立可观测衍射点为3669个,最终偏差因子R是0.0406,WR是0.0962.

Abstract: dimethyl-3,4-diacetyl-pyrryl) naphthaline was synthesized through the reaction of 3,4-diacetyl-2,5-hexanedione with α-naphthylamine in acidic medium.The chemical structure was characterized by IR, 1H-NMR,and HRMS.The crystal structure of the target molecule was determined by X-ray diffraction analysis.The crystal is triclinic with space group P1.The unit cell parameters are as follow: a is 0.8045(1)nm, b is 1.0018(1)nm, c is 2.0757(2)nm, α is 80.09(1)°, β is 82.66(1)°, γ is 83.81(1)°, V is 1.6281(3)nm3, Z is 4, Mr is 305.36, Dc is 1.246×103kg/m3, μ (M oK α) is 0.080mm-1 and F(000) is 648.