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What is the chemical structure of 2-N-propyl-4-methyl-6- (1-methyl benzimidazole-2-yl) benzimidazole (BIM)?
The chemical structure of 2-N-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole (BIM) is quite delicate and complex. This compound belongs to benzimidazole derivatives, which are composed of two benzimidazole rings linked to each other.
First, 2 of the benzimidazole ring on one side are conjugated with N-propyl, and 4 of them are added with a methyl group; second, 1 of the other benzimidazole ring has a methyl group, and 2 are connected to 6 of the previous ring. Such a structure makes the molecule have both the rigidity of the benzimidazole ring and the characteristics of a specific substituent.
The nitrogen-containing heterocyclic structure of the benzimidazole ring has aromatic properties and a certain electron cloud density, and can participate in various chemical reactions, such as coordination, hydrogen bonding, etc. The introduction of N-propyl group increases the lipophilic properties of the molecule, which may affect its solubility and membrane permeability; the addition of methyl group alters the molecular electron cloud distribution and steric resistance, and also plays a role in reactivity and intermolecular interactions.
The unique structure of this compound may give it specific physical, chemical and biological activities, and may have potential application value in drug development, materials science and other fields. Its complex and delicate chemical structure is just like the ancient ingenious artifacts, and each part cooperates with each other to form a unique chemical entity.
What are the main uses of 2-N-propyl-4-methyl-6- (1-methyl benzimidazole-2-yl) benzimidazole (BIM)?
2-N-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole (BIM) is useful in various fields.
In the field of medicine, it is often a key component in the creation of new anti-parasitic drugs. These drugs can show significant inhibitory and killing effects on parasites such as nematodes and flukes, because the compound can precisely act on specific biochemical processes or molecular targets in the parasite body, disrupt its normal physiological function, and eventually cause death of the parasite, thus providing a powerful means for the prevention and treatment of parasitic diseases in livestock, poultry and humans.
In materials science, BIM has also attracted much attention. Due to its special molecular structure and good thermal and chemical stability, it is often used to prepare high-performance polymer materials. The products made of such materials can still maintain their excellent physical and chemical properties, such as mechanical strength and insulation, under harsh environments such as high temperature, high humidity or strong chemical corrosion, so they are widely used in high-end fields such as aerospace and electronics.
Furthermore, in the field of organic synthesis chemistry, BIM, as a unique organic ligand, can coordinate with a variety of metal ions to generate complexes with unique structures. These complexes have shown excellent performance in the field of catalysis, which can effectively catalyze many organic reactions, improve the reaction rate and product selectivity, and inject new vitality into the development of organic synthetic chemistry.
In summary, 2-N-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole (BIM) has important uses in many fields such as medicine, materials science, and organic synthetic chemistry, and has made great contributions to the development of various fields.
What is the preparation method of 2-N-propyl-4-methyl-6- (1-methyl benzimidazole-2-yl) benzimidazole (BIM)?
To prepare 2-N-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole (BIM), the method is as follows:
First take an appropriate amount of 1-methyl-2-nitrobenzimidazole, place it in a reactor, add an appropriate amount of organic solvent, such as dimethylformamide (DMF), to help it dissolve and form a uniform solution.
Take another 2-chloro-4-methyl-6-nitroaniline, also place it in another vessel, and also dissolve it with DMF. Subsequently, the solution containing 2-chloro-4-methyl-6-nitroaniline was slowly added to the solution containing 1-methyl-2-nitrobenzimidazole under stirring. After adding, the reaction temperature was raised to about 120 ° C, and the reaction was continuously stirred to make the two fully react. During this process, the two underwent a nucleophilic substitution reaction to generate 2-N- (2-nitro-4-methyl-6-aniline) -1-methylbenzimidazole.
After the reaction is completed, the reaction solution is cooled to room temperature, and then slowly poured into a large amount of ice water, and solids are precipitated. Filtration with a Brinell funnel is used to collect solids and wash them repeatedly with deionized water to remove impurities to obtain a crude product.
This crude product is recrystallized in ethanol to obtain pure 2-N- (2-nitro-4-methyl-6-phenylamino) -1-methylbenzimidazole.
Then transfer this pure product into an autoclave, add an appropriate amount of ethanol as a solvent, and an appropriate amount of palladium carbon (Pd/C) as a catalyst. Add hydrogen, adjust the pressure in the kettle to about 2 MPa, heat up to 80 ° C, and continue to stir the reaction. Under this condition, a reduction reaction occurs, and the nitro group is reduced to an amino group to generate 2-N- (2-amino-4-methyl-6-anilinyl) -1-methylbenzimidazole.
After the reaction is completed, the kettle is cooled and reduced pressure, the palladium-carbon catalyst is filtered to remove, and the filtrate is distilled under reduced pressure to remove the ethanol solvent to obtain the remaining solid. The solid is recrystallized with ethyl acetate to obtain the refined product.
Finally, take the refined 2-N- (2-amino-4-methyl-6-phenylamino) - 1-methylbenzimidazole, put it into the reaction bottle, add an appropriate amount of propionyl chloride and acid binding agent, such as triethylamine. When stirring the reaction number at room temperature, the amino group and propionyl chloride are acylated to form 2-N-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole (BIM). After the reaction, the reaction solution was washed with dilute hydrochloric acid to remove excess acid binding agent, and then extracted with dichloromethane to collect the organic phase, dried with anhydrous sodium sulfate, filtered, and distilled under reduced pressure to remove dichloromethane. The final target product, BIM, can be further refined to improve its purity.
How safe is 2-N-propyl-4-methyl-6- (1-methyl benzimidazole-2-yl) benzimidazole (BIM)?
The safety of 2-N-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole (BIM) is related to many aspects.
Looking at its chemical structure, this compound is constructed from benzimidazole groups, and its unique structure may cause it to have specific chemical activities and reactivity. From the perspective of chemical synthesis, the raw materials, reagents and reaction conditions used in the synthesis process may involve dangerous substances and operations. If the raw materials are highly toxic, flammable and explosive, such as some nitrogen and sulfur-containing reagents, a little carelessness in synthesis can easily lead to safety accidents, such as fire, explosion, poisoning, etc.
In terms of biosafety, the impact on organisms should be considered. Although the exact biological activity is not yet known, benzimidazoles are often biologically active or can interact with targets in organisms. If they enter the human body, they may interfere with the normal physiological functions of cells, such as affecting enzyme activities, destroying cell membrane structures, etc., which may damage human health, cause organ damage, allergic reactions and even cancer risk.
Environmental safety cannot be ignored. If this compound enters the environment, it may be difficult to be degraded naturally due to its chemical stability. Accumulate in soil and water bodies, or affect the balance of ecosystems, have adverse effects on the growth and development of animals and plants, destroy the food chain, and cause ecological disasters.
In summary, the safety of 2-N-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole (BIM) requires a comprehensive and in-depth study, from chemical synthesis to biological and environmental effects, to ensure the safety of its application.
2-N-propyl-4-methyl-6- (1-methyl benzimidazole-2-yl) benzimidazole (BIM) related research progress?
2-N-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole (BIM) related research has made great progress.
Early analysis of its structure is the basis for research. Scientists have used precision spectroscopy and X-ray crystal diffraction to gain clear insight into the molecular configuration of BIM, which is a solid foundation for subsequent investigation of its properties and applications. In the field of materials science, BIM has emerged in organic optoelectronic materials due to its unique molecular architecture. Some studies have introduced it into organic Light Emitting Diode (OLED), and found that it can optimize the luminous efficiency and stability of the device, because BIM can effectively regulate the process of charge transport and exciton recombination.
In the field of biomedicine, research focuses on the potential biological activity of BIM. Some experiments have shown that it exhibits inhibitory effects on specific cancer cells, perhaps by interfering with key metabolic pathways of cancer cells or regulating the expression of related proteins. At the same time, in the study of drug delivery systems, BIM can be modified to build intelligent vectors to release drugs in response to the microenvironment of the lesion, improving the accuracy of treatment.
With the development of computational chemistry, theoretical simulation helps to deeply understand the electronic structure and reaction mechanism of BIM. With the help of quantum chemical calculations, it is possible to predict its reactivity and molecular interactions under different conditions, providing theoretical guidance for the rational design and optimization of BIM derivatives, and promoting BIM-related research to a higher level and achieving better applications in many fields.