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What is the chemical structure of 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzoimidazole?
1 - (ethylsulfonyl) - 2 - (2 - fluorophenyl) - 1H - benzimidazole, this is an organic compound. Its chemical structure is composed of three parts cleverly connected.
The first is the core skeleton of benzimidazole, which is formed by fusing the six-membered benzene ring and the five-membered imidazole ring, which is like a stable double-ring fortress. In the benzimidazole ring, the nitrogen atom plays a key role in many chemical reactions and biological activities, giving the whole molecule unique electronic properties and reactivity.
The second is 2-fluorophenyl, which is the introduction of fluorine atoms at specific positions in the benzene ring. Fluorine atoms significantly affect the physical and chemical properties of molecules due to their unique electronegativity and atomic radius. It can enhance the lipophilicity of molecules, which in turn affects their absorption, distribution and metabolism in living organisms. At the same time, fluorine atoms also play a role in the density distribution of molecular electron clouds, affecting their chemical reactivity and stability.
In addition, 1- (ethanesulfonyl), ethanesulfonyl - SO - CH - CH - is connected to the benzimidazole ring at position 1. Sulfonyl groups have strong electron absorption, which can further adjust the distribution of molecular electron clouds, changing molecular acidity, polarity and interaction ability with other molecules. The ethyl group in ethylsulfonyl increases the steric hindrance and lipophilicity of the molecule, which has a subtle impact on the overall properties of the molecule.
The interaction of the three-part structure endows 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzimidazole with unique physical and chemical properties and potential biological activities, which may have important applications and research values in the fields of medicinal chemistry, materials science and other fields.
What are the main physical properties of 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzoimidazole?
1 - (ethanesulfonyl) - 2 - (2 - fluorophenyl) - 1H - benzimidazole is an organic compound, and its physical properties are crucial for chemical and pharmaceutical research. This compound is mostly solid at room temperature, with good stability. The melting point is about 180-190 ° C. Due to the strong intermolecular force and the stable lattice structure, it needs to be melted at a higher temperature.
The compound is insoluble in water because of its weak molecular polarity and small interaction with water molecules. However, it is soluble in some organic solvents, such as dichloromethane, N, N - dimethylformamide (DMF), etc. In dichloromethane, due to the moderate polarity of dichloromethane, it can interact with the compound molecules by van der Waals force to achieve the dissolution effect; in DMF, the strong polarity of DMF can form hydrogen bonds or dipole-dipole interactions with the compound to improve solubility.
The compound has certain thermal stability, and the structure and properties change slowly at high temperature. Due to the high covalent bond energy between benzimidazole ring and ethanesulfonyl group and fluorophenyl group, the chemical bond is not easy to break at high temperature. However, if the temperature is too high, beyond the decomposition temperature, the chemical bond will break, resulting in structural damage and property change. < Br >
1 - (ethanesulfonyl) - 2 - (2 - fluorophenyl) - 1H - benzimidazole is usually a white or off-white crystalline powder with a specific crystal structure, and the powder is fine and uniform. Its density is about 1.4 - 1.5 g/cm ³, and the relative density is relatively large. Due to the large number of atoms in the molecule, the atomic weight is large, and the molecule is tightly packed.
In what fields is 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzoimidazole used?
1 - (ethanesulfonyl) - 2 - (2 - fluorophenyl) - 1H - benzimidazole is useful in many fields.
In the field of medicine, it is often used as a key intermediate in drug development. Because the structure of benzimidazole is of great significance in pharmaceutical chemistry, it may obtain unique pharmacological activity after modification. Based on this substance, chemists can chemically modify it to bind to specific biological targets, such as certain disease-related proteins, enzymes, etc. For example, in the research and development of anti-tumor drugs, new drugs with specific inhibitory effects on tumor cells can be obtained by optimizing their structure, and the therapeutic effect can be achieved by interfering with the signal pathways related to tumor cell proliferation and differentiation.
In the field of materials science, it also has a place. Because of its certain structural stability and special electronic properties, it can be used to prepare functional materials. For example, when synthesizing polymer materials with specific optical and electrical properties, introducing this material into the polymer main chain or side chain may change the optical absorption and emission characteristics of the material, so that it can be used in photoelectric materials, such as organic Light Emitting Diode (OLED), solar cells, etc., to show potential application value, or to improve the charge transfer efficiency of materials and improve luminescence properties.
Furthermore, in the field of agricultural chemistry, such compounds may have insecticidal and bactericidal activities. After research and development, they may become new pesticide active ingredients. By interacting with specific biomolecules in pests and pathogens, they can destroy their physiological functions and achieve the purpose of controlling pests and diseases. Compared with traditional pesticides, they may be more selective and environmentally friendly, reducing the impact on non-target organisms and reducing environmental pollution.
What are the synthesis methods of 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzoimidazole?
The synthesis of 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzimidazole is an important topic in organic synthesis chemistry. There are several common methods for synthesizing this compound.
First, it can be used as a starting material through o-phenylenediamine and 2-fluorobenzoic acid. First, under suitable conditions, such as in a specific solvent, with an appropriate catalyst, the condensation reaction is carried out to obtain 2- (2-fluorophenyl) -1H-benzimidazole. This step requires attention to the reaction temperature, the choice of solvent and the amount of catalyst. Too high or too low temperature may affect the reaction rate and product yield. The solvent needs to be able to dissolve the reactants without adversely affecting the reaction. The choice of catalyst is also critical, and different catalysts have an impact on the reaction activity and selectivity.
Then, the obtained 2- (2-fluorophenyl) -1H-benzimidazole is reacted with ethyl sulfonyl chloride. This reaction is often carried out under alkaline conditions, and basic reagents can be selected from potassium carbonate, sodium hydroxide, etc. The alkaline environment can promote the reaction to proceed in the direction of generating the target product. During the reaction process, the reaction time and temperature need to be controlled to ensure the complete reaction and avoid side reactions. If the reaction time is too short, the reaction may be incomplete; if the time is too long, too many by-products may be produced, which may affect the purity of the product.
The second synthesis path can be used to sulfonylate o-phenylenediamine first. Ethyl sulfonyl chloride is reacted with o-phenylenediamine to obtain N- (ethylsulfonyl) o-phenylenediamine. This step also requires fine regulation of reaction conditions, such as reaction temperature, reactant ratio, etc. Subsequently, N- (ethylsulfonyl) o-phenylenediamine is condensed and cyclized with 2-fluorobenzaldehyde. This reaction can be carried out in the presence of an appropriate acidic or basic catalyst. Acidic catalysts can be selected from p-toluenesulfonic acid, etc., and basic catalysts can be selected from pyridine. By controlling the reaction conditions, the reaction can proceed smoothly, and the final product is 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzimidazole.
When synthesizing this compound, the conditions of each step of the reaction need to be precisely controlled, from the purity of the raw material, the proportion of the reactant, to the reaction temperature, time and the use of the catalyst, all of which are related to the yield and purity of the product. Only careful operation can efficiently synthesize this compound.
What is the market outlook for 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzoimidazole?
1 - (ethylsulfonyl) - 2 - (2 - fluorophenyl) - 1H - benzimidazole, this is an organic compound. Looking at its market prospects, many factors must be observed.
In today's pharmaceutical and chemical field, research and development are advanced, and there is a growing demand for characteristic structural organic compounds. Such compounds are often key intermediates for the creation of new drugs, and their unique structures may endow drugs with excellent biological activity. If 1 - (ethylsulfonyl) - 2 - (2 - fluorophenyl) - 1H - benzimidazole has potential pharmacological activity, it will attract the attention of pharmaceutical companies and researchers in the development of new drugs, and the market prospect may be bright.
Furthermore, there are also opportunities in the field of materials science. With the advance of science and technology, the demand for high-performance materials is rising. If this compound has special physical and chemical properties, such as excellent thermal stability, optical properties, etc., it may be able to emerge in the branches of optoelectronic materials and polymer materials, and open up new markets.
However, the road to the market is not smooth. The difficulty of the synthesis process is related to the production cost. If the synthesis steps are complicated, the conditions are harsh, and the cost remains high, it will hinder its large-scale application. And the market competition is fierce, and similar or alternative compounds may have taken the lead. To stand out, you need to highlight your own advantages, such as higher activity and better performance.
Overall, the market prospect of 1- (ethylsulfonyl) -2- (2-fluorophenyl) -1H-benzimidazole has both opportunities and challenges. If you can find suitable applications in the fields of medicine and materials, break through the synthesis problem, reduce costs and increase efficiency, or you can find a place in the market, the prospect is promising; on the contrary, if it is difficult to develop unique advantages, you may face difficulties in the market wave.