2-(9,9-二丁基-2-芴基)苯甲酸的合成与晶体结构(英文)

Synthesis and Crystal Structure of 2-(9,9-Dibutyl-2-fluorenyl) benzoic Acid

以9,9-二丁基-2-溴代芴和邻甲苯硼酸为原料,通过Suzuki偶联反应和氧化反应得到一种新的芴衍生物,其结构通过~1H NMR,^(13)C NMR,MS,HRMS和X射线单晶衍射表征.该化合物的晶体属于单斜晶系,空间群为:P_(bca),a=0.974 6(2),b=2.168 1(4),c=2.283 8(5)nm,V=4.744 5(16)nm^3,Z=8,D_c=1.116 g/cm^3,μ=0.068mm^(-1),F(000)=1 712,R=0.046 9,ωR=0.112 7.单晶数据分析表明每两个标题化合物之间通过两个分子间氢键O—H…O相连.

A new fluorene-derived intermediate, namely 2-（9,9-dibutyl-2-fluorenyl）benzoic acid （C28H30O2, Mr= 398.52）, has been synthesized and Characterized by means of ：H NMR, ：3C NMR, MS, HRMS and single crystal X-ray diffraction. The crystal belongs to monoclinic, space group Pb, a with a = 0. 974 6 （2）, b = 2. 168 1（4）, c=2. 283 8（5） nm, V=4. 744 5（16） nm^3, Z=8, Dc=1. 116 g/cm^3, μ=0. 068 mm^-1, F（000）= 1 712, R=0. 046 9 and wR=0. 112 7. The X-ray diffraction analysis shows that two molecules of the title compound are connected with each other by O-H…O hydrogen bonds.