This paper presents a new family of pyrimidine-based BF₂ complexes. The series contains six examples of 1,1-difluoro-3-aryl(heteroaryl)-1H-pyrimido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium-1-uides (2) — in which aryl(heteroaryl) = phenyl, 4-MeC₆H₄, 4-N(CH₃)₂C₆H₄, 4-NO₂C₆H₄, 2-naphthyl, and 2-thienyl. The heterocycles 2 were easily synthesized at yields of 50–68% from reactions — at room temperature for 24 h — of simple N-(pyrimidin-2-yl)benzamides (1) with BF₃·Et₂O, and they were fully characterized by ¹H-, ¹³C-, ¹⁹F, ¹¹B-NMR, GC–MS, and X-ray diffractometry. Moreover, the photophysical properties, TD-DFT analysis, BSA-binding experiments, and molecular docking studies for the new organoboron complexes 2 were determined, presented, discussed, and compared with similar compounds that have already been described.

本文提出了一个新的基于嘧啶的BF ₂配合物家族。该系列包含1,1-二氟-3-芳基（杂芳基）-1 H-嘧啶基[1,2- c ] [1,3,5,2]恶二氮杂配蛋白9-ium-1-uides的6个实例（2） - ，其中芳基（杂芳基）=苯基，4--MEC ₆ ħ ₄，4-N（CH ₃）₂ C ^ ₆ ħ ₄，4-NO ₂ C ^ ₆ ħ ₄，2-萘基，和2-噻吩基。杂环2可以通过简单的N-（嘧啶-2-基）苯甲酰胺的反应（在室温下反应24小时）以50-68％的产率轻松合成（1）含BF ₃ ·Et ₂ O，并通过¹ H-，¹³ C-，¹⁹ F，¹¹ B-NMR，GC-MS和X射线衍射法对其进行了全面表征。此外，确定，展示，讨论了新有机硼配合物2的光物理性质，TD-DFT分析，BSA结合实验和分子对接研究，并将其与已描述的类似化合物进行了比较。