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What is the chemical structure of benzyl 2-chloro-4- (trifluoromethyl) -1, 3-thiazole-5-carboxylate
Benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylic acid ester, this is a kind of organic compound. To understand its chemical structure, you can first look at its name. "Benzyl", which is benzyl, is a benzyl group, expressed as -CH -2 - C H, which contains a benzene ring and is linked to methylene. " In 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylate "," 1,3-thiazole "is a five-membered heterocyclic ring containing sulfur and nitrogen, and the sulfur and nitrogen atoms are at the 1,3 position. There are chlorine atoms at the 2nd position and trifluoromethyl-CF at the 4th position. Carboxyl-COOH at the 5th position is connected to the oxygen atom of benzyl to form an ester bond-COO -.
In summary, the chemical structure of this compound is composed of benzyl groups connected by ester to the carboxyl group of 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylic acid. Its core is a 1,3-thiazole heterocycle, which is connected to chlorine, trifluoromethyl and other groups at specific positions on the ring, and is complex with benzyl groups by ester bonds. This structure makes the compound have unique chemical and physical properties and may have important uses in organic synthesis, medicinal chemistry and other fields.
What are the main uses of benzyl 2-chloro-4- (trifluoromethyl) -1, 3-thiazole-5-carboxylate
Benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylic acid ester, 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 to synthesize drug molecules with specific biological activities. Due to the unique properties of thiazole ring structure and trifluoromethyl, it can endow the synthesized drugs with various biological activities such as antibacterial, anti-inflammatory, anti-tumor, etc., and help to develop new specific drugs.
In the field of materials science, it can be used to prepare functional materials. For example, by introducing it into polymer materials through its chemical reaction, it can change the surface properties, thermal stability and chemical stability of the materials. Due to its special substituents, it may endow materials with unique optical and electrical properties, providing the possibility for the creation of new functional materials.
In the field of pesticide chemistry, it also has important application value. As an intermediate synthetic pesticide, it may have high-efficiency control effect on specific pests and pathogens. With its structural characteristics, it can precisely act on specific targets of pests or pathogens, improve the selectivity and effectiveness of pesticides, and reduce the impact on the environment and non-target organisms.
In addition, in the study of organic synthetic chemistry, benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylic acid esters are often used as model compounds to explore new synthesis methods and reaction mechanisms. Chemists can use various chemical reactions to further study the reaction conditions, selectivity and yield and other factors to promote the development of organic synthetic chemistry.
What are the synthesis methods of benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylate
The methods for synthesizing benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylic acid esters are different in ancient and modern times, and the advantages and disadvantages of each method are mutually different. The above methods are for those who seek knowledge.
First, the compound containing the thiazole ring is used as the starting material. First, the specific thiazole derivative and the appropriate halogenated benzyl reagent are nucleophilic substitution in the presence of bases. Bases, such as potassium carbonate, sodium carbonate, etc., are heated and stirred in organic solvents such as acetonitrile, N, N-dimethylformamide. This reaction depends on the activity of a specific position on the thiazole ring, so that the benzyl group can be replaced smoothly to obtain the target product. Its advantage is that the starting material is relatively easy to obtain, the reaction conditions are relatively mild; however, the disadvantages are also obvious, side reactions or raw, separation and purification is slightly difficult.
Second, to construct a thiazole ring as a strategy. Take compounds containing sulfur and nitrogen and reagents containing carboxyl groups and halogenated methyl groups to form rings through multi-step reactions. For example, thiourea derivatives and α-halogenated carbonyl compounds are condensed to form the prototype of thiazole rings in suitable solvents, and then benzyl and trifluoromethyl are introduced. This process involves multi-step reactions, and the conditions need to be precisely controlled. The advantage is that each substituent can be flexibly adjusted, but the steps are complicated, and the total yield may not be high.
Third, the reaction is catalyzed by transition metals. The target product is synthesized by using halogenated thiazole carboxylate and benzylboronic acid or its esters under the action of transition metal catalysts, such as palladium catalysts, according to the coupling reaction mechanism of Suzuki-Miyaura. This catalytic reaction has good selectivity and high yield; however, the transition metal catalyst is expensive, and the post-reaction treatment may require complex means to remove metal residues.
All synthesis methods have their own strengths and weaknesses. In order to obtain the optimal synthesis, it is necessary to consider many factors such as the availability of raw materials, cost, controllability of reaction conditions, and the purity and yield of the target product.
What are the physical properties of benzyl 2-chloro-4- (trifluoromethyl) -1, 3-thiazole-5-carboxylate
Benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylic acid ester, this is an organic compound. Its physical properties are quite important and related to many practical applications.
Let's talk about the appearance first. This material is often white to white solid, and the quality is uniform, such as the purity of snow, and the delicacy of frost. This appearance characteristic is easy to identify and distinguish in actual operation.
Melting point is also a key physical property. Its melting point is in a specific temperature range. When heated to a certain extent, it gradually melts from a solid state to a liquid state. This melting point data is crucial for controlling the state change of the compound during the heating process, and has guiding significance for synthesis, purification and other steps.
In terms of solubility, the compound has a certain solubility in organic solvents such as dichloromethane and chloroform, just like fish entering water, and the phase is unhindered. But the solubility in water is very small, just like the insolubility of oil and water. This solubility characteristic determines the choice of organic solvents in extraction, separation and other operations.
The density cannot be ignored, and its density is relatively stable, which is of great significance for accurately controlling the composition of the reaction system when it comes to material measurement, mixing and other processes.
In addition, the stability of the compound is also an important physical property. Under normal temperature and pressure, without the interference of special external factors, its chemical structure can remain relatively stable, like a rock, not easily shaken by wind and rain. However, under extreme conditions such as high temperature, strong acid, and strong base, its stability may be affected, and its structure may change.
The above physical properties are of key value for the study of the synthesis, analysis, application and storage of benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylic acid esters, which require detailed attention from scientific research and related practitioners.
What is the market prospect of benzyl 2-chloro-4- (trifluoromethyl) -1, 3-thiazole-5-carboxylate?
Benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylate, this substance is in the field of chemical medicine, its market prospect is quite promising, and it has a diverse development trend.
It can be used as a key intermediate in the creation of medicine to produce specific anti-malarial agents. The harm of malaria is all over the world, especially in tropical and subtropical regions, endangering many lives. The new anti-malarial drugs made on this basis are highly efficient and low-toxicity, and can contribute to the global anti-malarial industry. The huge market demand for it goes without saying.
In the field of pesticides, this compound is also very useful. New types of insecticides and fungicides can be developed to protect farmers and mulberry. Today, agricultural production has a growing demand for high-efficiency and low-residue pesticides. If this product can meet this demand, it can occupy a place in the pesticide market. Because it can reduce pesticide residues in agricultural products, protect the ecological environment, and follow the general trend of green agriculture development, the market prospect is broad.
Furthermore, with the advance of science and technology, the research and development of new chemical materials also requires such characteristic compounds. If used to create special-performance polymer materials, it has the potential to be applied in high-end fields such as electronics and aerospace.
However, there are also challenges in its market development. The synthesis process may need to be optimized to reduce costs and yield. And it must undergo strict safety and environmental assessments before entering the market to meet regulatory requirements. But overall, benzyl 2-chloro-4- (trifluoromethyl) -1,3-thiazole-5-carboxylate has a bright market prospect due to its diverse applications and growing demand. If it can properly meet the challenges, it will be able to shine in related industries.