A series of novel ethyl-l, 1, 2, 3, 6-tetrahydro-4-methyl-1-(6-methyl-4-oxo-4H-chromene-2-yl)-2-oxo/thioxo-6-phenyl pyrimidine-5-carboxylate compounds (2a–2k) were synthesized using I₂/DMSO as a competent and cost-effective catalyst in one pot green solvent system from corresponding chalcones (1a–1k) in better yields. IR, ¹H-NMR, ¹³C-NMR, Mass, and X-ray diffraction spectroscopic techniques were used for the characterization of newly synthesized compounds. All the compounds were tested for in-vitro antibacterial activities against gram-positive and gram-negative bacteria like Staphylococcus aureus, Salmonella abony, Staphylococcus epidermidis, and Escherichia coli. Antifungal activities were also performed against Candida albicans and Aspergilus niger. It was found that the presence of electron withdrawing group on the aromatic ring attached to chromone ring increases the antibacterial activities (2g, 2h, and 2k); while the presence of electron releasing groups decreases activities. The presence of electron donating groups (─OCH₃, ─Cl), on the phenyl ring attached to pyrimidine skeleton influenced negatively for the antibacterial activities.

中文翻译：

---

具有潜在抗菌和抗真菌药效团位点的新型融合嘧啶-色酮杂化物的高效单锅 I2/DMSO 介导合成和分子建模

一系列新型乙基-l, 1, 2, 3, 6-四氢-4-甲基-1-(6-methyl-4-oxo-4H-chromene-2-yl)-2-oxo/thioxo-6-使用 I ₂ /DMSO 作为有效且具有成本效益的催化剂，在一锅绿色溶剂系统中由相应的查耳酮 ( 1a-1k )合成苯基嘧啶-5-羧酸酯化合物 ( 2a-2k )，收率更高。IR、¹ H-NMR、¹³ C-NMR、质谱和 X 射线衍射光谱技术用于表征新合成的化合物。测试了所有化合物对革兰氏阳性和革兰氏阴性细菌如金黄色葡萄球菌、沙门氏菌、表皮葡萄球菌和大肠杆菌的体外抗菌活性. 还对白色念珠菌和黑曲霉进行了抗真菌活性。发现与色酮环相连的芳香环上吸电子基团的存在增加了抗菌活性（2g、2h和2k）；而电子释放基团的存在会降低活性。与嘧啶骨架相连的苯环上存在给电子基团（─OCH ₃，─Cl）对抗菌活性产生负面影响。