对叔丁基苯硼酸合成产率影响因素之灰色关联度分析

Grey Correlation Degree Analysis on Influencing Factors of Yield for 4-tert-Butylphenylboronic Acid Preparation

应用灰色关联度分析法对影响对叔丁基苯硼酸产率的因素进行了关联度分析。分析结果表明，影响对叔丁基苯硼酸产率的各因素的影响程度大小顺序为：反应温度〉反应时间〉反应物的物质的量比．从而确定其优化合成条件为：亲核取代温度为-20℃，反应物硼酸三甲酯与对溴叔丁基苯的物质的量之比为1．4：1．反应时间为160min。质谱、核磁共振谱和红外光谱表征表明所得产物与目标产物结构一致。

The influencing factors of 4-tert-Butylphenylboronic acid preparation are analyzed with the Grey Correlation Degree method. The analysis showed the order of influencing factors as follows ： reaction temperature 〉 reaction time 〉 reactants molar ratio. A optimized process for preparation was thus obtained as follows： the reactants molar ratio of the trimethyl borate to 1-bromo-4-tertbutylbenzene is 1.4：1, the temperature is at -20℃, and the reaction time 160 min. The outcome of Mass spectra, nuclear magnetic resonance spectroscopy and infrared spectra superficial characteristics and target outcome structure were consistent.