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.
The synthesis and ligand properties of N,N'-polymethylene-bridged imidazole-2-thiones and benzimidazole-2-thiones
Bark,Chadwick,Meth-Cohn
, p. 7863 - 7868 (1992)
A series of N,N'-polymethylene-bridged imidazole- and benzimidazole-2-thiones have been made with the bridge containing 1 to 6 methylenes, the former by alkylation of N-methyl-imidazole by α,ω-dibromoalkanes followed by thiation with sulphur and the latter from the previously described bridged benzimidazolones by treatment firstly with phosphoryl chloride followed by thiourea. The bridged benzimidazolethiones formed complexes with mercury, palladium and copper salts but not with iron, cobalt, nickel, zinc, platinum, cadmium, silver or thallium. The imidazolethiones complexed with iron, cobalt, nickel, copper, zinc, tin, cadmium, palladium, platinum and silver salts.
Microwave-assisted synthesis of (3,5-disubstituted isoxazole)-linked benzimidazolone derivatives: DFT calculations and biological activities
Ibrahim, Sana,Ghabi, Ameni,Amiri, Nesrine,Mtiraoui, Hasan,Hajji, Melek,Bel-Hadj-Tahar, Radhouane,Msaddek, Moncef
, p. 523 - 535 (2021)
The present work describes the synthesis, characterization, and biological activities of a novel series of isoxazole linked benzimidazolones. The structures of the target compounds and intermediates were characterized by 1H NMR, 13C NMR, and HRMS. Furthermore, all isolated molecules were evaluated for their antioxidant and antimicrobial activities. Some of these compounds were found to be the most potent antimicrobial agents. Moreover, most compounds exhibited significant scavenging activity on DPPH assay. Besides, the compounds’ chemical reactivity was also assessed theoretically through Conceptual Density Functional Theory (CDFT) indices. The wB97X-D/cc-pVDZ calculation allowed to classify some derivatives as moderate-to-strong electrophiles and strong nucleophiles. Graphic abstract: [Figure not available: see fulltext.].
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.
Preparation method of flibaserin hydrochloride
-
Paragraph 0023-0027; 0035-0038; 0046-0049, (2020/07/15)
The invention relates to the technical field of synthesis of medical intermediates, particularly to a preparation method of flibaserin hydrochloride. According to the preparation method, o-phenylenediamine and 3-trifluoromethylphenylpyrazine are used as raw materials; o-phenylenediamine reacts with ethyl acetoacetate to obtain a compound 10-1-G; the 3-trifluoromethylphenylpyrazine compound I is subjected to a two-step substitution reaction to obtain a compound 10-1-B; and the compound 10-1-B and the compound 10-1-G are subjected to a substitution reaction to obtain a final product compound flibaserin hydrochloride. The invention aims to reduce the cost, optimize the process and facilitate industrial production. The method is simple and convenient to operate, reasonable in reaction process,low in production cost, good in product quality, free of environmental pollution and suitable for industrial production, wherein the content of the product is higher than 99.5%.
Method for synthesizing 1-(3-chloropropyl)-benzimidazole-2-ketone
-
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.
1-acyl-3-isopropenyl benzimidazolone derivatives as anti-bacterial drug use
-
Paragraph 0022-0024, (2017/02/28)
The invention discloses a use of a 1-acyl-3-isopropenylbenzimidazolone derivative as an antibacterial medicine. The above compound has a structure represented by formula (I), and in the formula (I), R is an alpha, beta-unsaturated or halogenated acyl group having a main carbon chain length of C3-6. The compound provided by the invention can be processed to prepare a tablet, a capsule or other dosage forms used for clinically treating and/or preventing bacterial infection.
A Facile Route of Synthesis for Making Flibanserin
Yang, Feipu,Wu, Chunhui,Li, Zhiqiang,Tian, Guanghui,Wu, Jianzhong,Zhu, Fuqiang,Zhang, Jian,He, Yang,Shen, Jingshan
, p. 1576 - 1580 (2016/09/23)
A novel and efficient route of synthesis for making flibanserin via 2-ethoxy-1H-benzo[d]imidazole (12) was described with excellent yield. This protocol provided a more facile approach to flibanserin.
Use of a compound having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions
-
Page/Page column 38, (2009/01/20)
The invention relates to the use of compounds having a monogalactosyldiacylglycerol (MGDG) synthase inhibitory activity as herbicide or algaecide, and to herbicide and algaecide compositions containing at least one of these compounds.
BENZAZEPIN-2(1H)-ONE DERIVATIVES
-
Page/Page column 7; 43, (2008/06/13)
Compounds of formula (I) and pharmaceutically acceptable salts thereof are agonists at the beta-2 adrenoceptor. They are useful as feed additives for livestock animals.
