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What is the chemical structure of 2- [4- (azepan-1-ylsulfonyl) phenyl] -1,3-benzothiazole
This is a problem of structural analysis of organic compounds. 2 - [4 - (azacycloheptane-1-ylsulfonyl) phenyl] -1,3 -benzothiazole, whose chemical structure is constructed on the 1,3-benzothiazole parent nucleus.
1,3 -benzothiazole is formed by fusing a benzene ring with a thiazole ring. The thiazole ring is a five-membered heterocycle containing sulfur and nitrogen, which is fused with the benzene ring by two adjacent atoms to construct the basic structure of this parent nucleus.
At position 2 of the 1,3-benzothiazole parent nucleus, a phenyl group is chemically bonded. The fourth position of this phenyl group is complex-linked to a azacycloheptane-1-yl sulfonyl group. Azacycloheptane is a seven-membered nitrogen-containing heterocyclic ring, and the nitrogen atom at the first position is connected to the sulfonyl group. Sulfonyl (-SO 2O -) is a functional group containing sulfur and oxygen, with unique chemical activities and electronic effects.
In this way, this compound has 1,3-benzothiazole as the core, and through the connection of specific substituents, a unique chemical structure is formed. The interaction of each part gives the compound specific physical and chemical properties.
What are the main physical properties of 2- [4- (azepan-1-ylsulfonyl) phenyl] -1,3-benzothiazole
2-% 5B4-% 28 azacycloheptane-1-ylsulfonyl% 29 phenyl% 5D-1% 2C3-benzothiazole, this compound has many important physical properties. Its properties are often in a specific crystalline state. Viewed under a microscope, the crystalline morphology is regular, demonstrating the orderly arrangement of molecules.
In terms of melting point, it has been strictly determined to be in a specific temperature range. This temperature limit is the key node of the solid-liquid transformation of the compound, reflecting the strength of intermolecular forces. In organic solvents, its solubility varies. In polar organic solvents, such as ethanol and acetone, it can exhibit certain solubility characteristics, which is attributed to the interaction between the molecular structure and the solvent, such as hydrogen bonds, van der Waals forces, etc., which affect the degree of solubility.
Furthermore, the compound has a specific density, which is closely related to its molecular weight and accumulation, which determines its mass and volume relationship in a specific environment. In addition, its refractive index is also an important property. When light passes through, its refraction degree is affected by the molecular structure and arrangement, and the refractive properties are of great significance in optical research and application fields.
From the perspective of spectral characteristics, its infrared spectrum shows a unique absorption peak, corresponding to specific chemical bond vibrations, which can help researchers gain insight into intramolecular functional groups. In nuclear magnetic resonance spectroscopy, nuclei in different chemical environments give characteristic signals, revealing the connection between molecular frameworks and groups, providing key clues for in-depth structural analysis.
What are the synthesis methods of 2- [4- (azepan-1-ylsulfonyl) phenyl] -1,3-benzothiazole
To prepare 2- [4- (azacycloheptane-1-ylsulfonyl) phenyl] -1,3-benzothiazole, the following ancient method can be followed.
First take an appropriate amount of 4-halogenated benzenesulfonyl chloride, and azacycloheptane in a mild alkaline environment, using alcohol as a solvent, and warm it together. This step is intended to make the halogen atom of halogenated benzenesulfonyl chloride and the nitrogen atom of azacycloheptane phase to form 4- (azacycloheptane-1-ylsulfonyl) benzenesulfonyl chloride, during which the temperature should be controlled moderately, and the reaction should be promoted by stirring.
Then, the obtained 4- (azacycloheptane-1-ylsulfonyl) benzenesulfonyl chloride and anthrathiophenol are catalyzed in an organic solvent such as dichloromethane or toluene, and refluxed at temperature. The base can be selected from potassium carbonate or the like. This reaction aims to make the two condensate and cyclize, and finally obtain 2- [4- (azacycloheptane-1-ylsulfonyl) phenyl] -1,3-benzothiazole. After the reaction is completed, the product can be purified by conventional extraction and column chromatography to obtain a pure target. < Br >
Or, the coupling of o-aminothiophenol and halobenzene under the catalyst of copper can be first, and then the azacycloheptane-1-yl sulfonyl group can be introduced. This route is also feasible, but it needs to be selected according to the availability of raw materials, cost and difficulty of reaction.
2- [4- (azepan-1-ylsulfonyl) phenyl] -1,3-benzothiazole is used in what fields
2-% 5B4-% 28-azacycloheptane-1-ylsulfonyl% 29 Phenyl% 5D-1% 2C3-benzothiazole is used in medicine, materials science and other fields.
In the field of medicine, it exhibits unique pharmacological activity. Due to its special chemical structure, it may be able to combine with specific targets in organisms. For example, it can act on some key enzymes, affect the activity of enzymes, and then regulate related physiological and biochemical reactions, or provide opportunities for the development of new drugs to treat specific diseases. For example, for some inflammatory diseases, by precisely regulating the signaling pathways related to inflammation, it shows potential anti-inflammatory efficacy; or for some neurological diseases, it acts on the metabolic process of neurotransmitters, which makes it possible to relieve symptoms.
In the field of materials science, it also has application potential. With its own structural characteristics, it can participate in polymerization reactions as a functional monomer in the synthesis of polymer materials. The resulting materials may have unique physical and chemical properties, such as excellent thermal stability, mechanical properties, or special optical and electrical properties. For example, in the field of optoelectronic devices, it is expected to be applied to organic Light Emitting Diodes (OLEDs), solar cells, etc., to improve the performance and efficiency of devices and enhance their photoelectric conversion capabilities.
The application of this compound in the above fields has opened a new chapter in scientific research and technological development, presenting broad prospects for exploration.
What is the market outlook for 2- [4- (azepan-1-ylsulfonyl) phenyl] -1,3-benzothiazole?
Today there is a product called 2- [4- (azacycloheptane-1-ylsulfonyl) phenyl] -1,3-benzothiazole. The prospect of this product in the market has attracted much attention.
In the field of medicinal chemistry, such compounds may have promising prospects. In pharmaceutical research and development, it is often necessary to search for molecular structures with unique biological activities to create novel drugs. The special structure of this compound may be combined with specific biological targets, showing the potential to treat related diseases.
Taking the development of anti-tumor drugs as an example, many studies have focused on compounds that can precisely act on specific targets in tumor cells. If 2- [4- (azacycloheptane-1-ylsulfonyl) phenyl] -1,3-benzothiazole can affect some key signaling pathways of tumor cells, it may open up new avenues for the development of anti-tumor drugs.
Furthermore, in the field of materials science, it may also hold opportunities. With the advance of science and technology, the demand for materials with special properties is increasing day by day. The physical and chemical properties of this compound may make it stand out in fields such as organic semiconductor materials. Its structure or endows the material with unique electrical and optical properties, which is expected to be applied to the manufacture of new electronic devices.
However, although the market prospect is promising, there are also challenges. The process of synthesizing this compound requires consideration of cost and efficiency. If the synthesis process is complicated and costly, it may hinder large-scale production and marketing activities. And the market competition is fierce, and there are not a few compounds of the same kind or similar functions. In order to occupy a place in this market, it is still necessary to stand out in terms of performance, cost and many other aspects.
In summary, 2 - [4 - (azacycloheptane-1-ylsulfonyl) phenyl] -1,3 - benzothiazole is in the market prospect, and opportunities and challenges coexist. It is necessary for scientific research and industry to work together to deeply explore its performance and optimize the production process in order to make it shine in the market.