【摘要】 在微波辅助下,以五水硝酸铋为硝化试剂进行对氯甲苯硝化反应选择性研究,对反应产物进行了核磁共振氢谱表征,同时讨论了溶剂、催化剂及其用量、五水硝酸铋用量等对反应的影响,优化条件下,硝基对氯甲苯的产率为70.6%,4-氯-2-硝基甲苯的选择性为64.5%。通过计算两种硝化反应产物中间体的能量解释了反应的选择性。更多还原

【Abstract】 Microwave assisted nitration of p-chlorotoluene was studied with pentahydrate bismuth nitrate as nitration reagent. The reaction products were characterized by ~1H NMR. The effects of solvent, dosage of catalyst and pentahydrate bismuth nitrate on the reaction were discussed. Under the optimized conditions, the yield of nitro-p-chlorotoluene was 70.6% and the selectivity of 4-chloro-2-nitrotoluene was 64.5%. This selectivity was explained by calculating the energy of the intermediates of the two nitration products.更多还原