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What is the chemical structure of methyl 5- (4-bromo-2-fluoroanilino) -4-fluoro-1h-benzimidazole-6-carboxylate
This is the chemical substance of methyl 5- (4-bromo-2-fluorophenylamino) -4-fluoro-1H-benzimidazole-6-carboxylate. To know its chemical structure, let me explain in detail.
The core of this compound is a benzimidazole ring, which is formed by fusing a benzene ring with an imidazole ring. The structure is stable and is crucial in many fields of organic synthesis and medicinal chemistry. 1H-benzimidazole-6-carboxylate shows that the sixth position of the benzimidazole ring is connected with a carboxylate, and the hydrogen at the first position is not replaced.
Furthermore, the 5-position is connected to 5- (4-bromo-2-fluorophenamido), which is a substituent. The 4-bromo-2-fluorophenamido group is derived from aniline, and its benzene ring has a bromine atom at the 4th position and a fluorine atom at the 2nd position. The amino group is connected to the 5th position of the benzimidazole ring.
There is also 4-fluorine, indicating that the 4th position of the benzimidazole ring is connected with a fluorine atom. The methyl group forms an ester bond with the carboxylic group of the carboxylate, which constitutes the overall chemical structure of methyl 5- (4-bromo-2-fluorophenylamino) -4-fluoro-1H-benzimidazole-6-carboxylate. The interaction of different groups in this structure endows the compound with unique physical and chemical properties, which may have potential application value in drug development, organic synthesis and other fields.
What are the main uses of methyl 5- (4-bromo-2-fluoroanilino) -4-fluoro-1h-benzimidazole-6-carboxylate
Methyl 5- (4-bromo-2-fluoroanilino) -4-fluoro-1H-benzimidazole - 6 - carboxylate, this compound has important uses in the fields of medicine and materials science.
In the field of medicine, its effect is quite similar to the magic medicine that can cure diseases and strengthen the body sought in the refining of ancient medicinal pills. It can be used as a key intermediate to synthesize a variety of drug molecules with potential biological activity. For example, in the development of antimalarial drugs, similar structural compounds have been modified to show inhibitory activity against malaria parasites. Just as the ancients searched for a magic medicine from fairy grass to fight diseases, modern researchers use this compound to explore ways to fight malaria. In the research of anti-tumor drugs, scientists hope to build new drug structures based on them, interfering with the growth and proliferation of tumor cells, just like the ancient people carefully formulated prescriptions to try to overcome disease problems.
In the field of materials science, this compound is like an indispensable cornerstone in ancient architecture. Because of its special chemical structure, it can be used to prepare functional materials. For example, when used in the preparation of optical materials, it can endow the material with unique photophysical properties, just like the ancient people carefully selected stones to build a strong and beautiful building. In the preparation of organic semiconductor materials, it may improve the electrical properties of materials and promote electronic transmission, just like ancient craftsmen skillfully built architectural structures to ensure their stability and normal function.
What is the synthesis method of methyl 5- (4-bromo-2-fluoroanilino) -4-fluoro-1h-benzimidazole-6-carboxylate
To prepare methyl 5- (4-bromo-2-fluorophenylamino) -4-fluoro-1H-benzimidazole-6-carboxylic acid ester, the method is as follows:
First take 4-bromo-2-fluoroaniline and dissolve it in a suitable solvent, such as dichloromethane, N, N-dimethylformamide, etc. In this solution, slowly add a suitable acylating agent, such as an acyl halide or an acid anhydride containing the corresponding substituent, and stir it at a low temperature, such as 0 ° C to 5 ° C, to cause an acylation reaction to occur. When reacting, it is necessary to pay close attention to the reaction process and can be monitored by thin-layer chromatography.
After the acylation reaction is completed, the reaction solution is treated, or washed with alkali to remove excess acylation reagents and by-products, and then the organic phase is dried with anhydrous sodium sulfate, and the solvent is removed by rotary evaporation to obtain the acylation product. < Br > Take the above acylated product and place it in a suitable reaction vessel with a fluorinated benzimidazole-6-carboxylic acid derivative, add an appropriate amount of condensation agent, such as dicyclohexyl carbodiimide (DCC), 1-ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride (EDCI), etc., and add an appropriate amount of catalyst, such as 4-dimethylaminopyridine (DMAP). When the reaction number is stirred at an appropriate temperature, such as room temperature to 50 ° C.
The reaction is completed, and the product is purified by conventional separation methods, such as column chromatography. First select a suitable eluent, prepare the ratio according to the polarity of the product, use silica gel column chromatography, carefully collect the eluent containing the target product, and remove the solvent by rotary evaporation to obtain pure methyl 5- (4-bromo-2-fluorophenylamine) -4-fluoro-1H-benzimidazole-6-carboxylic acid ester. Throughout the process, attention should be paid to the precise control of reaction conditions, the purity of the reagent and the specification of operation to ensure the yield and purity of the product.
What are the physical and chemical properties of methyl 5- (4-bromo-2-fluoroanilino) -4-fluoro-1h-benzimidazole-6-carboxylate
Methyl 5- (4-bromo-2-fluoroanilino) -4-fluoro-1H-benzimidazole-6-carboxylate is an organic compound. Its physicochemical properties are crucial for its application in various fields.
When it comes to physical properties, the compound may be solid under normal conditions, but the exact physical state needs to be determined experimentally. The melting point and boiling point are the key characteristics. The melting point can reveal the temperature at which it changes from solid to liquid, and the boiling point indicates the condition at which it changes from liquid to gaseous. These data can be accurately obtained by experimental means, such as capillary melting point and distillation boiling point.
The solubility cannot be ignored, and its solubility varies in different solvents. In organic solvents such as ethanol and dichloromethane, it may exhibit good solubility, but in water it may not be good. This property is closely related to the molecular structure. The polar and non-polar parts of the compound work together to determine its dissolution performance in different solvents.
In terms of chemical properties, its molecules contain a variety of functional groups, such as benzimidazole rings, amino groups, ester groups and halogen atoms. Benzimidazole rings have certain aromatic properties and stability, but they can also participate in various electrophilic substitution reactions. The nitrogen atom of the amino group has lone pairs of electrons, which makes it alkaline, which can react with acids to form salts, and can also participate in nucleophilic substitution reactions. Ester groups can undergo hydrolysis reactions. Under acidic or basic conditions, the hydrolysis products are different. Basic hydrolysis produces carboxylic salts and alcohols, and acidic hydrolysis produces carboxylic acids and alcohols. Halogen atoms (bromine and fluorine) can participate in nucleophilic substitution reactions, in which bromine atoms are relatively active and more easily replaced by nucleophilic reagents.
In summary, the physicochemical properties of methyl 5- (4-bromo-2-fluoroanilino) -4-fluoro-1H-benzimidazole-6-carboxylate are determined by their molecular structures, and these properties are of great significance in organic synthesis, drug development and other fields.
Methyl 5- (4-bromo-2-fluoroanilino) -4-fluoro-1h-benzimidazole-6-carboxylate prospects in the market
There is a product today called "methyl + 5- (4 - bromo - 2 - fluoroanilino) - 4 - fluoro - 1h - benzimidazole - 6 - carboxylate". Looking at the situation of this product in the city, it needs to be investigated in detail.
This product may be a rare product. Due to its complex structure, 4 - bromo - 2 - fluorophenamine is connected to benzimidazole - 6 - carboxylate and other parts. Its synthesis may require a delicate method, which may cause it to be low in the market. And it contains halogen atoms such as fluorine and bromine, which require strict synthesis conditions or limit production.
However, in some specific fields, such as fine chemicals and drug research and development, this product may have considerable prospects. In drug research and development, its unique structure or endowed with special biological activity, if it can find a suitable target, or become a key raw material for new drugs, it may be a hot thing in the eyes of relevant scientific research institutions and pharmaceutical companies.
However, looking at the market, due to the difficulty of synthesis and cost considerations, its circulation may be limited, and the price may be expensive. The vendors in the market are mostly professional chemical raw material suppliers, and only for customers with specific needs. Ordinary merchants rarely see this product. Even if there is a need, it also needs to go through a complicated procurement process to obtain it.