2-氯-5-三氯甲基吡啶的波谱学数据与结构分析

Spectral data analysis and identification of 2-chloro-5-trichloromethylpyridine

2-氯-5-三氯甲基吡啶是重要的农药中间体。以3-甲基吡啶为原料通过光氯化反应合成2-氯-5-三氯甲基吡啶,经分离后得到纯度为99.5%的产品。利用红外(IR)、紫外(UV)、质谱(MS)、核磁共振(NMR)等实验技术研究了其波谱学特征,详细讨论了该化合物的1HNMR1、3CNMR谱,并对所有1HNMR、13CNMR谱的信号进行了归属。讨论了红外吸收特征峰对应官能团的振动形式,样品的官能团与目标化合物一致。该方法为此类化合物的结构解析提供了有益的分析依据。

The present authors aim to introduce their identification of 2-chloro-5-trichloromethylpyridine as a result of their spectral analysis of the compound. Adopting 3-methylpridine as raw material to compose 2-chloro-5-trichloromethylpyridine through photochemical chlorination, the paper has specified and identified the product after separation with the purity as high as 99.5 %. Then, by using the infrared spectrum, ultraviolet spectrum, mass spectrometry, nuclear magnetic resonance spectroscope, the paper has analyzed the spectral characteristics of 2-chloro-5-trichloromethylpyridine with the charts of ^1HNMR and ^13CNMR discussed detailedly and all the ^1HNMR and ^13CNMR chemical shifts assigned perfectly. The vibrations of the functional groups of the compound were discussed as to their homologous infrared absorption characteristic peaks. The functional groups of samples are proved to be identical to the objective compound, which in turn provides a valuable analytical basis for characterization of the similar compounds.