论文部分内容阅读
以1-(4-溴苯基)-2,2-二羟基-乙酮、3-((4-溴苯基)氨基)-5,5-二甲基环己-2-烯酮为原料,甲醇既为醚化试剂也是反应介质,采用对-甲基苯磺酸(p-TsOH)为催化剂,通过多组分的多米诺反应微波辐射下合成多取代的四氢吲哚类衍生物--1,2-双(4-溴苯基)-6,7-二氢-3-甲氧基-6,6-二甲基-1H-吲哚-4(5H)-酮.其结构通过单晶X射线衍射法确定,晶体属三斜晶系,空间群P-1,相对分子质量Mr=503.23,晶胞参数a=0.884 19(9)nm,b=0.969 36(11)nm,c=1.348 97(13)nm,V=1.070 96(19)nm3,Z=2,晶胞密度Dc=1.561g/cm3,吸收系数μ=3.803mm-1,单胞中电子的数目F(000)=504.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为.R=0.058 4,wR=0.107 8.在晶体结构中新形成的吡咯杂环近似于平面结构.
Starting from 1- (4-bromophenyl) -2,2-dihydroxy-ethanone and 3 - ((4-bromophenyl) amino) -5,5-dimethylcyclohex- , Methanol is not only the etherification reagent but also the reaction medium, using p-toluenesulfonic acid (p-TsOH) as a catalyst, through the multi-component reaction of domino reaction microwave synthesis of multi-substituted tetrahydroindole derivatives - 1,2-bis (4-bromophenyl) -6,7-dihydro-3-methoxy-6,6-dimethyl-1H-indol-4 (5H) Crystal X-ray diffraction, the crystal belongs to the triclinic system, the space group P-1, relative molecular mass Mr = 503.23, unit cell parameters a = 0.884 19 (9) nm, b = 0.969 36 1.348 97 (13) nm, V = 1.07096 (19) nm3, Z = 2, cell density Dc = 1.561g / cm3, absorption coefficient μ = 3.803mm-1, the number of electrons in a unit cell F 504. The crystal structure is solved by the direct method, and the atomic parameters are corrected by the full matrix least squares method. The final deviation factor is R = 0.058 4 and wR = 0.107 8. The newly formed pyrrole heterocycles in the crystal structure approximate Flat structure.