Synthesis, X-ray, DFT and antibacterial activity of a novel 1-indanone derivative

1-Indanone is a prominent scaffold recognized for its wide range of biological activities. Numerous studies have demonstrated that 1-indanone derivatives are crucial for Alzheimer's disease, antidiarrheal, anti-proliferative, antibacterial, anti-inflammatory, anticancer agents, etc. In recent years, it has been found that this type of compound also has significant anti-plant disease activity. Novel 1-indanone derivatives were designed and synthesized based on their extensive biological activities. The compounds were characterized using ¹H NMR, ¹³C NMR, and high-resolution mass spectrometry (HRMS). Compound 11 (CCDC number: 2391,391) was crystallized, and its structure was determined through X-ray analysis. Additionally, density functional theory (DFT) calculations for compound 11 were conducted at the B3LYP/6–311 level. Ultimately, systematic biological assays indicated that the intermediate 6 exhibited significant inhibitory activity in vitro against the four tested plant pathogenic bacteria.