2,6-二甲基吡嗪与水杨酸衍生物共晶的合成、结构与表征

Synthesis, Structure and Characterization of Co-crystals of 2,6-Dimethylpyrazine with Salicylic Acid Derivative

开发新型低焦油、低危害的吡嗪香料并将其运用于卷烟中,逐步成为烟草行业相关科研人员的研究热点。本文以2,6-二甲基吡嗪为原料,3,5-二硝基水杨酸为配体,通过溶剂挥发法合成3,5-二硝基水杨酸-2,6-二甲基吡嗪共晶化合物。通过单晶X射线衍射(SXRD)表征并分析其晶体结构和性质,热重分析(TGA)验证其稳定性的提高。对晶体进一步进行Hirshfeld表面和指纹图分析,研究此共晶中的分子间相互作用,为吡嗪共晶类潜香化合物的合成提供理论支撑。

In order to study the synthesis conditions of pyrazine compounds, we developed a new type of latent fragrance for cigarettes, using 2,6-dimethylpyrazine as raw material, p-toluenesulfonic acid as ligands, and the co-crystal of p-toluenesulfonic acid-2,6-dimethylpyrazine was synthesized by solvent evaporation method. The structure and property of the co-crystal were characterized and analyzed by Single Crystal X-ray Diffraction(SXRD), Thermogravimetric analysis(TGA) verified the improvement of its stability. Further analysis of the surface of the co-crystal and the fingerprint of the Hirshfeld reveals that the intermolecular interaction in the co-crystal provides theoretical support for the synthesis of pyrazine crystals latent compounds.