4,5-二甲基-2-硝基苯酚的合成与晶体结构

Synthesis and crystal structure of 4,5-dimethyl-2-nitrophenol

用直接硝化法合成了标题化合物。调整各反应物比例,发现3,4-二甲基苯酚与硝酸的物质的量比为1∶1.2时产率最高为30.3%。产物的紫外可见吸收光谱显示,产物4,5-二甲基-2-硝基苯酚的S1→S0吸收峰相对于原料3,4-二甲基苯酚红移了145nm。通过晶体结构对硝基在苯环上的位置进行了确定。

4,5-Dimethyl-2-nitrophenol was synthesized via direct nitrification. A maximum yield of 30.3 % was achieved at a mass ratio of 3,4-dimethylphenol to nitric acid equating to 1 ： 1.2. The UV-Vis spectra were compared with those of 3,4-dimethylphenol.The S1→S0 absorption of red shifts relating to 4,5-dimethyl- 2-nitrophenol was at about 145 nm. Its crystal structure was also characterized with the nitro-position further verified by analytical data and its real structure was identified.