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What is the chemical structure of 3-chloro-N- [4- (4-fluorophenyl) -1,3-thiazol-2-yl] -6-methoxy-1-benzothiophene-2-carboxamide
This is the chemical structure analysis of 3-chloro-N- [4- (4-fluorophenyl) -1,3-thiazole-2-yl] -6-methoxy-1-benzothiophene-2-formamide. Its structure is composed of several parts.
In view, 1-benzothiophene-2-formamide is the core structure of this compound. The 1-benzothiophene ring is formed by fusing a benzene ring with a thiophene ring, which is closely connected like an ancient tenon-and-mortise structure, giving the molecule a specific rigidity and conjugation system. At the 2 position, there is a formamide group, which has a profound impact on the chemical and biological activities of the molecule, just like the key part of the tenon joint, which affects the overall performance.
Furthermore, there is a methoxy group at the 6 position. Methoxy is the power supply group, which can affect the electron cloud density and reactivity of the benzothiophene ring, as if it opens up a specific path for the electron flow of the molecule and regulates the direction of its chemical reaction.
The introduction of chlorine atoms at the 3 position also has a significant impact on the molecular properties. Chlorine atoms have certain electronegativity, which can change the polarity and steric resistance of molecules, just like adding a unique "wedge" to the molecular structure, affecting its interaction with other molecules.
The most crucial one is the N - [4- (4-fluorophenyl) -1,3-thiazole-2-yl] part. After the thiazole ring is connected to the 4-fluorophenyl group, it is connected to the nitrogen atom of the main structure. The thiazole ring is a five-membered heterocycle containing sulfur and nitrogen, which has unique electronic properties and biological activities. The presence of fluorine atoms in the 4-fluorophenyl group further modifies the electron cloud and spatial structure of this part. Overall, the various components cooperate with each other to build this complex and delicate chemical structure, which may have unique properties and application potential in the fields of medicine, materials, and so on.
What are the physical properties of 3-chloro-N- [4- (4-fluorophenyl) -1,3-thiazol-2-yl] -6-methoxy-1-benzothiophene-2-carboxamide
3 - chloro - N - [4 - (4 - fluorophenyl) -1,3 - thiazol - 2 - yl] -6 - methoxy - 1 - benzothiophene - 2 - carboxamide is an organic compound. Its physical properties are as follows:
The morphology of this compound, or a solid state, is often solid in many similar benzothiophene and thiazole-containing structures. In this type of structure, the chemical bonds between atoms are stable, and the interaction between molecules is strong, so that it tends to form a regular lattice at room temperature and pressure, and it is solid.
Regarding the melting point, although there is no exact experimental data, it can be deduced from its structure. Benzothiophene and thiazole ring form a conjugated system, increasing the intermolecular force, and the melting point is expected to be quite high. Because the conjugate system makes the molecules planar, the molecules can be closely arranged, enhancing van der Waals force and increasing the melting point.
In terms of solubility, in view of the fact that there are halogen atoms such as chlorine and fluorine in the molecule, as well as polar groups such as methoxy and amide groups, it may have a certain solubility in polar organic solvents. For example, in dichloromethane, the halogen atom is partially similar in structure to dichloromethane. According to the principle of similar miscibility, there should be a certain degree of solubility. However, it also contains a large conjugated hydrophobic part, and the solubility in water may not be good. Due to the weak interaction between the polarity of the water
The color of this compound may have certain characteristics due to the conjugate system. The conjugate system can absorb specific wavelengths of visible light, causing it to appear colorless to light yellow. Many organic compounds with similar conjugate structures often appear in this color range. The degree of conjugation and the energy level of the electron transition determine the light absorption, which in turn affects the color.
What is the use of 3-chloro-N- [4- (4-fluorophenyl) -1,3-thiazol-2-yl] -6-methoxy-1-benzothiophene-2-carboxamide
3 - chloro - N - [4 - (4 - fluorophenyl) -1,3 - thiazol - 2 - yl] -6 - methoxy - 1 - benzothiophene - 2 - carboxamide, an organic compound with a wide range of applications.
In the field of pharmaceutical research and development, it is like a delicate key that can precisely open the door to disease treatment. Many studies have focused on its potential efficacy in specific diseases, such as certain oncological diseases. Due to its unique structure, it may act on specific targets of tumor cells and interfere with the growth, proliferation and metastasis of tumor cells. It is like a heroic guardian, protecting human health and opening up a new path for the development of anti-cancer drugs.
In the world of materials science, this compound also shows unique charm. Because of its special chemical structure and physical properties, it may be used to prepare materials with special properties. For example, with its unique response to light and electricity, it may become a key raw material for the preparation of new photovoltaic materials, bringing hope for the manufacture of more efficient solar cells, Light Emitting Diode and other devices, just like adding bricks to the building of materials science. Furthermore, in the complex stage of organic synthesis, it can also serve as an extremely important intermediate. Like the cornerstone of a complex building, through a series of organic chemical reactions, many compounds with more complex structures and more diverse functions can be derived, greatly enriching the variety of organic compounds, promoting the vigorous development of organic synthetic chemistry, and leading scientists to constantly explore the mysteries of the organic world.
What is the synthesis method of 3-chloro-N- [4- (4-fluorophenyl) -1,3-thiazol-2-yl] -6-methoxy-1-benzothiophene-2-carboxamide
3 - chloro - N - [4 - (4 - fluorophenyl) -1,3 - thiazol - 2 - yl] -6 - methoxy - 1 - benzothiophene - 2 - carboxamide is an organic compound, and the synthesis method is complicated. The ancient method is hereby described.
Starting materials need to be prepared with 4- (4 - fluorophenyl) - 2 - aminothiazole, 3 - chloro - 6 - methoxy - 1 - benzothiophene - 2 - carboxylic acid and other kinds. In the first step, 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid is reacted with appropriate reagents to activate its carboxyl group. Often with thionyl chloride or the like, the carboxylic acid is then converted into the corresponding acid chloride. The first step is to make the reaction environment dry and wet to avoid hydrolysis of acid chloride. Next, the obtained acid chloride is mixed with 4- (4-fluorophenyl) -2-aminothiazole, and mixed in a suitable solvent, such as dichloromethane, N, N-dimethylformamide, and an appropriate amount of base, such as triethylamine, is added to promote the reaction. The action of the base is to grab the hydrogen on the aminothiazole amino group to enhance its nucleophilicity, which is easy to undergo nucleophilic substitution reaction with the carbonyl carbon of the acyl chloride to form the target compound 3-chloro-N - [4 - (4 - fluorophenyl) -1,3 - thiazol - 2 - yl] -6 - methoxy - 1 - benzothiophene - 2 - carboxamide.
After the reaction, the product is still mixed with impurities and needs to be separated and purified. The column chromatography method is often used, and silica gel is selected as the stationary phase. With an appropriate proportion of eluent, such as the mixture of petroleum ether and ethyl acetate, the distribution coefficients of the product and impurities in the stationary phase and eluent are different, so that they are separated one by one to obtain a pure product.
The whole synthesis process must be precisely controlled in the proportion of materials, reaction temperature, time, etc. A slight difference will affect the yield and purity of the product.
3-Chloro-N- [4- (4-fluorophenyl) -1,3-thiazol-2-yl] -6-methoxy-1-benzothiophene-2-carboxamide What are the relevant safety precautions?
3 - chloro - N - [4 - (4 - fluorophenyl) -1,3 - thiazol - 2 - yl] -6 - methoxy - 1 - benzothiophene - 2 - carboxamide is a complex organic compound. Safety precautions are critical when using this compound.
Bear the brunt of it, due to its potential toxicity, caution must be used during operation. Avoid skin contact. Wear protective clothing and gloves when operating. If you contact it inadvertently, rinse with plenty of water immediately and seek medical attention according to the situation. At the same time, beware of inhaling its dust or volatiles. It is advisable to operate in a well-ventilated place or with the help of ventilated equipment. If necessary, wear appropriate respiratory protective equipment.
Furthermore, this compound may be irritating and may cause irritation to the eyes, respiratory tract, etc. Avoid it from entering the eyes during operation. If it does not enter the eyes carefully, rinse it with plenty of water quickly and seek medical assistance. In the experimental or production environment, it is necessary to pay attention to its irritation to the respiratory tract. If there are any discomfort symptoms, it should be immediately transferred to a fresh air place and seek medical attention if necessary.
In addition, storage should not be ignored. Store it in a dry, cool and well-ventilated place, away from fire and heat sources, to prevent danger. At the same time, it should be stored separately from oxidizing agents, acids and other substances to avoid mutual reaction.
Finally, the waste of this compound must not be discarded at will, and must be properly disposed of in accordance with relevant regulations and standards to prevent pollution to the environment.
When operating 3-chloro - N - [4 - (4 - fluorophenyl) -1,3 - thiazol - 2 - yl] -6 - methoxy - 1 - benzothiophene - 2 - carboxamide, every step must be strictly controlled and follow safety regulations to ensure that personnel safety and the environment are not damaged.