1,2-二苯基-1,1,2,2-四乙氧基羰基乙烷的合成及密度泛函计算研究

The Synthesis and DFT Research of Tetraethyl 1,2-Diphenylethane-1,1,2,2-Tetracarboxylate

在2,3-二取代丁二酸酯类化合物的合成研究中,化合物1,2-二苯基-1,1,2,2-四乙氧基羰基乙烷作为研究合成路线中的模型中间体,具有重要意义。设计并合成了该化合物,用电喷雾质谱、核磁和红外进行表征确认,并用Materials Stu-dio程序中的密度泛函方法计算了该化合物的结构参数和振动频率,得到与红外图谱相一致的结果,确认了化合物的合成成功,为该化合物的进一步研究奠定了基础。

In the synthetical research of 2,3-disubstituted succini diester compounds, tetraethyl 1,2-diphenylethane-1,1, 2,2-tetraearboxylate is the key model intermediate. We designed the synthetic route and obtain the target compound in this study. The result was confirmed by mass spectrum SEI＋,~H-NMR and IR. We also used DFT with Materials Studio software to calculate the structure parameters and vibrational frequencies of the target compound which matched the result of IR analysis. So we affirmed that we had successfully synthesized the target compound. Thus, it has established a basis for the further study of the target compound.