Crystal structure, antibacterial and antifungal evaluation of 5-bromothiophene based 3, 4-dihydropyrimidin-2-(1H)-(thi)ones. (1st February 2023)

• Record Type: Journal Article
• Authors: Sharma, Mayank G.; Vala, Ruturajsinh M.; Rajani, Dhanji P.; Ramkumar, Venkatachalam; Gardas, Ramesh L.; Banerjee, Sourav; Patel, Hitendra M.
• Is Part Of: Phosphorus, sulfur, and silicon and the related elements. Volume 198:Number 2(2023)
• Page Start: 145
• Page End: 153
• Publication Date: 2023-02-01
• Subjects: DHPMs -- antibacterial activity -- antifungal activity -- Hirshfeld surfaces analysis -- ADMET prediction; Sulfur compounds -- Periodicals; Organosulfur compounds -- Periodicals; Phosphorus compounds -- Periodicals; Organophosphorus compounds -- Periodicals; Silicon compounds -- Periodicals; Organosilicon compounds -- Periodicals; 546
• DOI: 10.1080/10426507.2022.2121397
• Languages: English
• ISSNs: 1042-6507

Abstract

Abstract: Herein, a solvent-free synthesis of 5-bromothiophene based 3, 4-dihydropyrimidin-2-(1 H )-(thi)ones was explored. The main advantages of this study are that pure products are readily obtained through an easy workup and without using any separation technique and in good yields (66-80% yield), All the synthesized products were characterized by 1 H and 13 C-APT NMR, IR spectroscopy and elemental analysis. A single crystal X-ray analysis of ethyl-4-(5-bromothiophen-2-yl)-6-methyl-2-oxo-1, 2, 3, 4-tetrahydropyrimidine-5-carboxylate (4c) was performed. All the synthesized compounds were screened for their antifungal and antibacterial assay. Among all synthesized compounds, some showed good antibacterial and antifungal activity. ADMET prediction for was carried out and calculated data show that all the compounds have a drug-like nature. Graphical Abstract: UF0001