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What is the chemical structure of 4-Methyl-2- (3-pyridinyl) -1,3-thiazole-5-carboxylic acid?
This is the chemical structure analysis of 4-methyl-2- (3-pyridyl) -1,3-thiazole-5-carboxylic acid. According to its name, this compound is composed of several parts.
The thiazole ring is its core structure, with 1,3-thiazole, referring to the nitrogen atom and sulfur atom in the thiazole ring at the 1st and 3rd positions, respectively. At the 5th position of the thiazole ring, there is a carboxyl group (-COOH) connected, which is an acidic functional group, giving the compound a specific chemical activity. The second position is connected to a 3-pyridyl group, which is a nitrogen-containing aromatic heterocycle, and the nitrogen atom on the pyridyl ring is in the third position. The introduction of this pyridyl group affects the electron cloud distribution and spatial structure of the compound, which in turn affects its chemical and physical properties. Furthermore, at the fourth position of the thiazole ring, methyl (-CH 🥰) is connected, and the presence of methyl groups also affects the properties of the compound, such as lipophilicity. Due to the combination of these groups, this compound has unique chemical properties and may have important uses in the fields of organic synthesis, medicinal chemistry, etc. The interaction of various groups in its chemical structure determines its reactivity, solubility, stability, and many other properties. It is the basis for research and application in related fields.
What are the main uses of 4-Methyl-2- (3-pyridinyl) -1,3-thiazole-5-carboxylic acid?
4-Methyl-2- (3-pyridyl) -1,3-thiazole-5-carboxylic acid, this is an organic compound. It has a wide range of uses in the field of medicinal chemistry and is often used as a key intermediate in drug synthesis. Due to its unique chemical structure, it can construct complex molecules with biological activity through specific chemical reactions, and plays an important role in the development of drugs for the treatment of various diseases, such as innovative drugs designed for specific targets.
In the field of materials science, this compound may have emerged in the synthesis of functional materials due to its special properties. For example, through chemical modification and polymerization, materials with unique optical, electrical or mechanical properties can be prepared, providing new avenues for the development of new materials.
In the field of pesticides, it also has potential application value. After rational structural modification and activity screening, high-efficiency, low-toxicity and environmentally friendly pesticide products may be developed, which can help agricultural pest control and ensure crop yield and quality.
In addition, 4-methyl-2- (3-pyridyl) -1,3-thiazole-5-carboxylic acids, as an important synthetic building block, can be used to construct various complex organic molecular structures, promote the development and innovation of organic synthesis methodologies, and provide rich materials and ideas for research in the field of organic chemistry.
What are the synthesis methods of 4-Methyl-2- (3-pyridinyl) -1,3-thiazole-5-carboxylic acid?
For the synthesis of 4-methyl-2- (3-pyridyl) -1,3-thiazole-5-carboxylic acid, there are various paths to follow.
One can be started from the raw material containing pyridyl and thiazole rings. First, take the appropriate pyridine derivative, which needs the active group that can participate in the reaction at the 3-position of the pyridine ring, such as atomic halogen. Another compound containing sulfur and carboxyl precursors, such as specific thioamides and halocarboxylic acid esters. Under the catalysis of suitable bases, the two can be reacted by heating in organic solvents, such as ethanol, dichloromethane, etc. The alkali can be selected from potassium carbonate, sodium carbonate, etc., which prompts the halogen atom to be replaced, and then the thiazole ring is formed to form the target product. In this process, temperature control is very critical, generally between 60-100 ° C, and fine regulation is required to ensure the smooth progress of the reaction and the purity of the product.
Second, you can also start with the construction of the thiazole ring. Using 2-amino-4-methylthiazole-5-carboxylic acid as the starting material, with the help of pyridyl boric acid or pyridyl halide, it is achieved under the coupling reaction conditions catalyzed by palladium. Commonly used palladium catalysts such as tetrakis (triphenylphosphine) palladium, and ligands can The reaction is carried out in a basic environment, such as an aqueous solution of cesium carbonate mixed with an organic solvent, at 80-120 ° C for several hours. The advantage of this method is that the thiazole ring has been formed in advance, and only the precise coupling of pyridyl groups is required, which can improve the selectivity and yield of the reaction.
Third, a multi-step reaction strategy can also be used. Synthesize 2 - (3-pyridyl) -1,3-thiazole first, and then methylate and carboxylate it. For example, 2 - (3-pyridyl) -1,3-thiazole is formed by the reaction of 3-pyridyl formaldehyde and thiourea, and then methyl is introduced under the action of a base through methylation reagents such as iodomethane, and then through a specific carboxylation reaction, such as reacting with carbon dioxide under suitable catalyst and pressure conditions, the final target is 4-methyl-2 - (3-pyridyl) -1,3-thiazole-5-carboxylic acid. Each step of the reaction requires careful control of the reaction conditions. The quality and yield of the product are all related to the amount of reagent, reaction temperature, reaction time and post-treatment method.
What are the physical and chemical properties of 4-Methyl-2- (3-pyridinyl) -1,3-thiazole-5-carboxylic acid?
4-Methyl-2- (3-pyridyl) -1,3-thiazole-5-carboxylic acid, its physical and chemical properties are quite important, and it is related to the field of many applications.
First of all, its appearance is mostly white to white crystalline powder at room temperature. This state is easy to distinguish. The appearance is pure in color and fine in texture, and its fine crystal structure can be seen under light.
In terms of melting point, it is about 180-185 ° C. This property is inherent in the substance, just like human endowment. At this temperature, the solid state gradually melts and turns into a liquid state. This process is extremely critical and is often the basis for identification and purification.
In terms of solubility, it is slightly soluble in common organic solvents such as methanol and ethanol. However, in water, the solubility is low. Just like fish in different waters, this difference in solubility needs to be carefully considered in the process of synthesis, separation and preparation.
Stability cannot be ignored. Under normal environmental conditions, if the temperature and humidity are suitable, and there is no interference from strong light and strong oxidants, this substance is relatively stable and can be stored for a long time without significant deterioration. In the case of strong acid, strong alkali environment, or extreme conditions of high temperature and high humidity, its structure may change, resulting in changes in chemical properties.
In its acidity and alkalinity, it contains carboxyl groups and is acidic, which can neutralize and react with bases to generate corresponding salts. This property is used in medicinal chemistry, and may be used to adjust drug solubility and stability to facilitate drug development and application.
The physicochemical properties of this 4-methyl-2- (3-pyridyl) -1,3-thiazole-5-carboxylic acid are related to each other, and are of great significance in chemical, pharmaceutical and other fields, such as drug synthesis, material preparation, etc. It is an indispensable consideration in the process of scientific research and production.
What is the price of 4-Methyl-2- (3-pyridinyl) -1,3-thiazole-5-carboxylic acid in the market?
Today there is a question about the price of 4 - Methyl - 2 - (3 - pyridinyl) - 1,3 - thiazole - 5 - carboxylic acid in the market. However, it is not easy to know the price of this substance. Cover this compound, or fine chemicals, or pharmaceutical intermediates and the like. There are many factors involved in its price, which is difficult to hide.
First, the production process is complicated and simple. If its preparation requires multiple steps of reaction, and the conditions are harsh, the reagents used are rare, the cost will be high, and the price will follow. On the contrary, the process is simple, the cost is controllable, and the price may be slightly lower.
Second, the market supply and demand have a great impact. If the demand for this product is strong and the supply is limited, the merchant may raise the price. If the supply exceeds the demand, the price may drop for promotional goods.
Third, the price varies depending on the purity of the product. High purity, used in high-end pharmaceutical research and development, etc., the price must be high. Low purity, if only used as general chemical raw materials, the price is relatively low.
Fourth, different suppliers have different pricing. Well-known large factories, due to good quality control and high reputation, the price may be high. While small factories compete for the market, the price may be slightly lower. Therefore, in order to determine the exact price of 4 - Methyl - 2 - (3 - pyridinyl) - 1, 3 - thiazole - 5 - carboxylic acid, it is necessary to consult each supplier in detail, and comprehensively consider the above factors to obtain a more accurate price.