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What is the chemical structure of 2- (4-Pyridinyl) -1H-benzimidazole-4-carboxylic acid?
2-%284-Pyridinyl%29-1H-benzimidazole-4-carboxylic acid is an organic compound. The chemical structure of this compound is based on benzimidazole as the core parent ring. It has a hydrogen atom at position 1, a 4-pyridyl group at position 2, and a carboxyl group at position 4.
The benzimidazole parent ring is fused from a benzene ring and an imidazole ring, which has unique aromatic properties and stability. The benzene ring consists of a conjugated system of six carbon atoms, and the imidazole ring contains two nitrogen atoms and three carbon atoms, which together constitute this special structure.
The 4-pyridyl group at position 2 is connected. The pyridyl ring is a six-membered nitrogen-containing heterocycle, which is similar to the benzene ring and has aromatic properties. The nitrogen atom of the pyridyl ring has a significant impact on the distribution of the entire molecular electron cloud due to its large electronegativity, and can participate in a variety of chemical reactions.
The carboxyl group at position 4 (-COOH), which is a strong polar functional group, is acidic and can participate in acid-base reactions, esterification reactions and other reactions. Among the carboxyl groups, the carbonyl group (C = O) is connected to the hydroxyl group (-OH), and the two interact, causing the carboxyl group to exhibit special chemical properties.
The interaction of various parts in the structure of this compound endows it with unique physical and chemical properties, and may have important potential applications in organic synthesis, medicinal chemistry and other fields.
What are the physical properties of 2- (4-Pyridinyl) -1H-benzimidazole-4-carboxylic acid
2-%284-Pyridinyl%29-1H-benzimidazole-4-carboxylic acid is 2- (4-pyridyl) -1H-benzimidazole-4-carboxylic acid, which has many physical properties.
Looking at its morphology, it is mostly white to light yellow crystalline powder at room temperature. As for the color, it is often slightly different due to the amount of impurities it contains. The pure one is light in color, and the impurities are slightly darker.
When it comes to solubility, this compound does not dissolve well in water and is only slightly soluble. However, in some organic solvents, it shows different behaviors. For example, in dimethyl sulfoxide (DMSO), it can be better dissolved to form a uniform solution; in common alcohols such as methanol and ethanol, it also has a certain solubility, but it is slightly inferior to DMSO.
Its melting point is also an important physical property. After experimental determination, the melting point is about a specific temperature range, which is of great significance for identifying the purity of the compound and judging its thermal transformation. When heated to near the melting point, the compound begins to gradually transform from solid to liquid. This process is an endothermic reaction, and the exact value of the melting point can be used as one of the characteristics of the compound.
In terms of stability, 2- (4-pyridyl) -1H-benzimidazole-4-carboxylic acid can remain relatively stable under normal temperature, pressure and dry environment. However, if exposed to humid air, or under extreme conditions such as high temperature and strong light, its chemical structure may change slowly, resulting in changes in its physical properties. For example, long-term light exposure may gradually darken the color and change the chemical activity, which in turn affects its performance in related reactions.
What is the main use of 2- (4-Pyridinyl) -1H-benzimidazole-4-carboxylic acid?
2-%284-Pyridinyl%29-1H-benzimidazole-4-carboxylic acid is 2- (4-pyridyl) -1H-benzimidazole-4-carboxylic acid, which has a wide range of uses. In the field of medicinal chemistry, it is often a key intermediate for the creation of new drugs. Due to its special chemical structure, it can be modified by specific reactions to obtain compounds with unique biological activities, or have anti-tumor potential, or have therapeutic effects on specific diseases. It can interact with specific targets in organisms and affect physiological processes.
In the field of materials science, it can participate in the preparation of functional materials. By reacting or assembling with other substances, materials with specific properties can be constructed, such as in the field of optical materials, which can endow materials with unique optical properties and be used in optical sensing, optoelectronic devices, etc.
In chemical research, it is an important synthetic building block. Chemists can use it to perform various organic synthesis reactions, explore novel chemical structures and reaction paths, and help expand the theory of organic chemistry and advance the practical synthesis technology. This compound plays an important role in many fields due to its diverse reactivity and structural modifiability, opening up many possibilities for scientific research and industrial applications.
What are the synthesis methods of 2- (4-Pyridinyl) -1H-benzimidazole-4-carboxylic acid
To prepare 2- (4-pyridyl) -1H-benzimidazole-4-carboxylic acid, there are many methods, and each has its advantages and disadvantages.
First, start with 4-pyridyl boronic acid and halobenzimidazole-containing carboxylic acid derivatives, and prepare it by coupling reaction catalyzed by transition metals. First, take an appropriate amount of 4-pyridyl boronic acid and halobenzimidazole-containing carboxylic acid derivatives, dissolve them into suitable organic solvents, such as dioxane, N, N-dimethylformamide, etc. Add transition metal catalysts, such as palladium catalysts, and bases, such as potassium carbonate, sodium carbonate, etc. The reaction conditions are mild and the selectivity is good, but the catalyst is expensive and the cost is high.
Second, it is obtained by the nucleophilic substitution reaction of 4-halopyridine and benzimidazole-4-carboxylic acid derivatives. Mix 4-halopyridine and benzimidazole-4-carboxylic acid derivatives with suitable solvents, such as acetonitrile, acetone, etc. Add bases, such as triethylamine, sodium hydride, etc., to promote the reaction. Heat reflux and react over time. The method is simple, but the activity of halopyridine is low, and it is difficult to cause a reaction. Strong conditions or side reactions are required.
Third, pyridine and benzimidazole-4-carboxylic acid are used as raw materials and prepared by condensation reaction. In suitable solvents, such as concentrated sulfuric acid and polyphosphoric acid, add pyridine and benzimidazole-4-carboxylic acid, heat and stir, and carry out condensation. This reaction condition is harsh, requires a strong acidic environment, has great corrosion to equipment, and is post-processed, so the raw materials are easy to obtain and the cost is low.
After the reaction is completed, all need to be post-treated to obtain pure products. First, the solvent is reduced by steaming, the remainder is dissolved in water, and then the impurities are extracted with an organic solvent. The pH value of the water phase is adjusted to make the product separate, filtered and dried to obtain crude products. The crude product was purified by recrystallization and column chromatography to obtain high purity 2 - (4 -pyridyl) -1H -benzimidazole-4 -carboxylic acid.
What is the price range of 2- (4-Pyridinyl) -1H-benzimidazole-4-carboxylic acid in the market?
I have been searching for the price of the market, but I have not been able to find the exact price of 2- (4-pyridyl) -1H-benzimidazole-4-carboxylic acid. The price of this compound may fluctuate greatly due to differences in use, purity, supply and demand.
If it is a commonly used reagent in laboratories and has average purity, its price may be between tens and hundreds of dollars per gram. If its purity is very high, it reaches the standard of analytical purity or higher, and it is used in fine chemicals or high-end scientific research, its price may be over a thousand gold per gram.
If the purchase quantity is very large, reaching the number of kilograms, the price per gram may be significantly reduced due to the effect of scale. However, market conditions are fickle, and prices can also move at any time. To know the details, you need to consult the people who specialize in this industry or the platform for trading chemical raw materials to obtain real-time prices.