通过二碘化钐催化的Biginelli反应合成了5-乙酰基-6-甲基-4-(2-呋喃基)-3,4-二氢嘧啶-2-酮,并采用单晶X-射线衍射法测定了其晶体结构.晶体属单斜晶系,P21/n空间群,a=0.8837(2)nm,b=0.8186(2)nm,c=1.4831(3)nm,β=103.73(5)°,V=1.0422(4)nm^3,Mr=220.23,Z=4,Dc=1.404g/cm^2,μ(MoKα)=0.104mm^-1,F(000)=464.最终偏离因子为R=0.0623、wR=0.1384.
The title compound 5-acetyl-6-methyl-4- (2-furyl) -3,4-dihydropyrimidine-2 (H) -one was synthesized by samarium diiodide catalyzed Biginelli reaction, a one-pot condensation of 2-furaldehyde, urea and 2,4-pentanedione. The crystal structure was determined by X-ray single-crystal diffraction analysis. The crystal belongs to monoclinic, space group P21/n with unit cell dimensions a = 0. 883 7(2) nm, b = 0. 818 6(2) nm, c = 1.483 1(3) nm,/3 = 103.73(5)°, V = 1.042 2(4) nm^3, Mr= 220.23, Z = 4, Dc= 1.404g/cm^3,μ(MoKα) = 0.104mm^-1, F(000) = 464. The final R = 0. 062 3 and wR = 0. 138 4 for 1 820 observed reflections with I 〉 2σ(1).