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What is the chemical structure of 3-chloro-N- (1-dioxidotetrahydrothiophen-3-yl) -6-methoxy-1-benzothiophene-2-carboxamide?
This is the chemical structure analysis of 3-chloro-N- (1,1-dioxotetrahydrothiophene-3-yl) -6-methoxy-1-benzothiophene-2-formamide. Looking at its name, its structure can be gradually deduced.
"3-chlorine", which shows that there is a chlorine atom at the 3rd position of a specific parent nuclear structure. "1-benzothiophene-2-formamide", indicating that the parent nucleus is benzothiophene, and there is a formamide group at the 2nd position. Benzothiophene is a structure formed by fusing a benzene ring with a thiophene ring.
"6-methoxy", that is, a methoxy group (-OCH) is attached to the 6th position of the parent nucleus of benzothiophene.
Looking at "N- (1,1-dioxotetrahydrothiophene-3-yl) " again, this shows that the nitrogen atom of the formamide group is connected to 1,1-dioxotetrahydrothiophene-3-yl. Tetrahydrothiophene is a sulfur-containing five-membered ring, 1,1-dioxo, that is, the sulfur atom is connected with two oxygen atoms, and the 3-position is connected to the nitrogen atom of the formamide group.
Overall, the structure of the compound is benzothiophene as the parent nucleus, with a formamido group at the 2nd position, a chlorine atom at the 3rd position, and a methoxy group at the 6th position. The nitrogen atom of the formamido group is connected to the 1,1-dioxytetrahydrothiophene-3-group, which is the chemical structure of 3-chloro-N- (1,1-dioxytetrahydrothiophene-3-group) -6-methoxy-1-benzothiophene-2-formamide.
What are the physical properties of 3-chloro-N- (1-dioxidotetrahydrothiophen-3-yl) -6-methoxy-1-benzothiophene-2-carboxamide
3-Chloro-N- (1,1-dioxotetrahydrothiophene-3-yl) -6-methoxy-1-benzothiophene-2-formamide is an organic compound. In terms of its physical properties, this substance is usually in a solid state, mostly white or off-white powder. Due to the interaction between atoms in its molecular structure, its molecules are arranged in an orderly manner, resulting in a solid state of aggregation.
Looking at its solubility, it has a certain solubility in organic solvents, such as dichloromethane, N, N-dimethylformamide, etc. This is because the molecular structure of the compound contains many polar groups, which interact with the polarity of the organic solvent to form intermolecular forces, such as hydrogen bonds, van der Waals forces, etc., so it can be dissolved in such organic solvents. However, the solubility in water is very small, because the polarity of the water molecule and the interaction between the polar groups of the compound are not enough to overcome the intermolecular forces of the compound, so it is difficult to dissolve in water.
As for the melting point, it has been experimentally determined that it is about a certain temperature range. The existence of this temperature range is also related to the intermolecular forces of the compound. The stronger the intermolecular forces, the higher the energy required to disintegrate the lattice structure and transform it into a liquid state, and the higher the melting point. The molecular force of this compound is determined by its molecular structure, including the conjugation system of the benzene ring, the interaction between the sulfur atom and the oxygen atom, etc., which together affect its melting point.
And its density is also a specific value. This value reflects the mass per unit volume of the compound, which is determined by the molecular mass of the compound and the way it is piled up. Its molecular mass is large, and the solid state is tightly packed with time particles, so it has a corresponding density value. In summary, the physical properties of this compound are closely related to its unique molecular structure.
What are the main uses of 3-chloro-N- (1-dioxidotetrahydrothiophen-3-yl) -6-methoxy-1-benzothiophene-2-carboxamide?
3 - chloro - N - (1,1 - dioxidotetrahydrothiophen - 3 - yl) -6 - methoxy - 1 - benzothiophene - 2 - carboxamide, which is the name of an organic compound. Its main use is often in the field of medicinal chemistry.
In the process of drug development, such compounds may be key intermediates. Due to the unique structure, it may have specific biological activities and can be combined with specific targets in organisms. By modifying and modifying its chemical structure, researchers are expected to create new drugs with better efficacy and less side effects.
For example, the affinity and selectivity of compounds and targets can be optimized by adjusting the substituents of benzothiophene and tetrahydrothiophene dioxide moieties. In the study of anti-tumor drugs, such structures may interfere with the signaling pathways of tumor cells and inhibit the growth and proliferation of tumor cells.
Furthermore, this compound is also of great value in the study of the structure-activity relationship of pharmacochemistry. Scientists can systematically change its structural characteristics and explore the impact of structural changes on activity, thus providing a solid basis for rational drug design, and promoting the birth of new and efficient drugs, benefiting patients and curing pain.
What is the synthesis method of 3-chloro-N- (1-dioxidotetrahydrothiophen-3-yl) -6-methoxy-1-benzothiophene-2-carboxamide
To prepare 3 - chloro - N - (1,1 - dioxidotetrahydrothiophen - 3 - yl) - 6 - methoxy - 1 - benzothiophene - 2 - carboxamide, the method is as follows:
Take 6 - methoxy - 1 - benzothiophene - 2 - carboxylic acid, which with a suitable chlorination agent, such as sulfoxide chloride, in a suitable solvent such as dichloromethane, heated and refluxed. The purpose of this step is to convert the carboxyl group into an acid chloride, complete the reaction, cool, and remove excess thionyl chloride under reduced pressure to obtain 6-methoxy-1-benzothiophene-2-formyl chloride.
Take another 1,1-dioxytetrahydrothiophene-3-amine, dissolve it in a suitable solvent such as N, N-dimethylformamide, and add an appropriate amount of acid binding agent such as triethylamine. Under low temperature stirring, slowly add the obtained 6-methoxy-1-benzothiophene-2-formyl chloride dichloromethane solution. After dropping, raise to room temperature and continue stirring the reaction. In this step, the key structure of the target product is formed by an amidation reaction. After the
reaction is completed, an appropriate amount of water is added to the reaction system to quench the reaction, and then an organic solvent such as ethyl acetate is used for extraction. The combined organic phases are washed with water and saturated salt water in sequence, and dried with anhydrous sodium sulfate. After filtering to remove the desiccant, the solvent is removed by vacuum distillation to obtain a crude product. < Br > The crude product was purified by column chromatography, with petroleum ether and ethyl acetate as eluents in appropriate proportions, the eluent containing the target product was collected, and the solvent was evaporated to obtain pure 3-chloro-N - (1,1 - dioxidotetrahydrothiophen - 3 - yl) - 6 - methoxy - 1 - benzothiophene - 2 - carboxamide. The whole process requires attention to the precise control of reaction conditions, the selection and treatment of solvents, and the judgment of the end point of each step of the reaction to obtain the product with ideal yield and purity.
What is the market outlook for 3-chloro-N- (1-dioxidotetrahydrothiophen-3-yl) -6-methoxy-1-benzothiophene-2-carboxamide?
3-chloro-N- (1-dioxidotetrahydrothiophen-3-yl) -6-methoxy-1-benzothiophene-2-carboxamide, this is an organic compound, and its market prospect is quite complex, which is affected by many factors.
Its pharmacological properties, or unique biological activities, have potential uses in the field of pharmaceutical research and development. If it can be confirmed that it has curative effects on specific diseases, such as anti-tumor, anti-inflammatory, etc., pharmaceutical companies may invest a lot in its research and development to develop new drugs. However, the road of drug development is long and arduous, requiring multiple rounds of rigorous clinical trials, high cost, and uncertain success.
From the perspective of chemical raw materials, if it has an indispensable position in a specific chemical synthesis process, it can be used as a key intermediate for the production of high value-added products, and chemical companies may have a demand for it. However, the chemical industry is highly competitive, and new synthesis methods continue to emerge. If there are better alternatives, its market share may be squeezed.
Furthermore, market demand is also influenced by regulations and policies. Drug regulatory authorities have strict approval of new drugs, and environmental protection policies have increasingly high requirements for chemical production. If the production process of this compound does not meet environmental protection standards, the production scale will be limited.
In addition, the economic environment and market competition cannot be ignored. Global economic fluctuations affect enterprises' R & D and production investment, peer competition may put pressure on prices, and marketing activities are more difficult.
In summary, the market prospects of 3-chloro-N- (1-dioxidotetrahydrothiophen-3-yl) -6-methoxy-1-benzothiophene-2-carboxamide opportunities and challenges coexist, and it is necessary to comprehensively consider many factors such as pharmacological performance, regulations and policies, economic environment and competition situation in order to make a more accurate judgment.