52099-72-6Relevant articles and documents
Synthesis and structural study of N-isopropenylbenzimidazolone
Mondieig,Negrier,Leger,Lakhrissi,El Assyry,Lakhrissi,Essassi,Benali,Boucetta
, p. 807 - 811 (2015)
The synthesis and the crystal structure of the N-isopropenylbenzimidazolone (C10H10N2O) are presented. The synthesis was performed by Meth-Cohen method by reaction of o-phenylenediamine with ethyl acetoacetate in refluxed xylene. The single crystal structure was determined at room temperature by means of X-rays diffraction. The crystal system is monoclinic, with space group C2/c and eight molecules per unit cell. The unit cell dimensions are: a = 15.978(1) ?, b = 6.100(2) ?, c = 18.222(2) ?, β = 90.16(1)° and V = 1776.0(6) ?3.
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Sexton
, p. 303 (1942)
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Syntheses of N-substituted benzimidazolone derivatives: DFT calculations, Hirshfeld surface analysis, molecular docking studies and antibacterial activities
Saber, Asmaa,Sebbar, Nada Kheira,Sert, Yusuf,Alzaqri, Nabil,H?kelek, Tuncer,El Ghayati, Lhoussaine,Talbaoui, Ahmed,Mague, Joel T.,Baba, Yassir Filali,Urrutigo?ty, Martine,Essassi, El Mokhtar
, (2019/10/10)
New benzimidazolone derivatives (2–5) were synthesized and characterized using NMR and single crystal X-ray diffraction techniques. Along with the experimental data, the predicted spectral data were also obtained using density functional theory (DFT) at the B3LYP/6-31G(d,p) level of theory. In addition, the closest contacts between the active atoms of the compounds were identified through Hirshfeld surface analyses, molecular docking studies, and DFT calculations. The antibacterial activities of derivatives (2–5) against gram-positive and gram-negative microbial strains, such as Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa were also evaluated, and the results obtained showed the antibacterial activities of derivatives (2–5) using a minimum inhibitory concentration (MIC) assay.
Method for synthesizing 1-(3-chloropropyl)-benzimidazole-2-ketone
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Paragraph 0022; 0023; 0033; 0034, (2018/07/06)
The invention provides a method for synthesizing 1-(3-chloropropyl)-benzimidazole-2-ketone. The reaction route is shown in the description. The method has the beneficial effects that 1, the inventiondesigns the novel synthesis route to prepare a domperidone intermediate with the structure shown in the formula (DOM-4), and the novel synthesis route is realized; the reaction selectivity of the route is good, the controllability is strong, and the route is quite favorable for the implementation of large-scale industrial production; 2, by using the route and the method provided by the invention,the production cost of the domperidone intermediate is greatly lowered, and the purity of the domperidone intermediate is increased, so that the production cost of the domperidone intermediate is greatly reduced.
