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1-Benzenesulfony-3-Bromo-5-Chloro-4-Fluoro-1H-Indole-2-Carboxylic chemical structure of Acid Ethyl Ester
1 - Benzenesulfony - 3 - Bromo - 5 - Chloro - 4 - Fluoro - 1H - Indole - 2 - Carboxylic Acid Ethyl Ester, which is the name of an organic compound. According to this name, its chemical structure can be deduced as follows:
The main structure of this compound is an indole ring, that is, 1H - indole. In the first position of the indole ring, there is a benzenesulfony group (Benzenesulfony). This group is formed by linking the benzene ring to the sulfonyl group (-SO 2O -), and the benzene ring is connected to the nitrogen atom in the first position of the indole ring by its carbon atom.
At the 3rd position of the indole ring, there is a bromine atom (Bromo). At the 5th position, there is a chlorine atom (Chloro), and at the 4th position, there is a fluorine atom (Fluoro).
At the 2nd position of the indole ring, there is a carboxylic acid ethyl ester group (- COOCH < CH 🥰), which is an ester group formed by the esterification reaction of carboxyl group (- COOH) with ethanol, that is, -COO - is connected to ethyl group (- CH < CH 🥰) and then connected to the 2nd position of the indole ring.
In summary, this compound has a complex structure and contains a variety of substitutions based on the indole ring. The position and type of each substituent jointly determine its unique chemical properties and reactivity.
What are the main uses of 1-Benzenesulfony-3-Bromo-5-Chloro-4-Fluoro-1H-Indole-2-Carboxylic Acid Ethyl Ester?
1-Benzenesulfonyl-3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylic acid ethyl ester, this compound is widely used in the fields of medicine and chemical industry.
In the process of pharmaceutical research and development, it often acts as a key intermediate to help create new drugs. Taking the development of anti-tumor drugs as an example, some scientific research teams have successfully found new derivatives with high inhibitory activity against specific tumor cells by modifying and optimizing the structure of the compound. The indole ring, halogen atom and benzenesulfonyl group in its structure can precisely bind to specific targets in tumor cells, interfering with key processes such as tumor cell proliferation and metastasis, and opening up a new path for the research and development of anti-tumor drugs. In the field of antiviral drug research, it also shows potential value, or can be structurally modified to obtain active ingredients that have inhibitory effects on specific viruses.
In the field of chemical production, this compound plays an important role in the synthesis of fine chemicals due to its unique chemical structure and properties. In the process of synthesizing high-end dyes, it can be used as a starting material and undergo a series of chemical reactions to endow the dyes with unique colors and excellent properties, such as high color fastness and light resistance. In the preparation of functional materials, it can participate in the construction of material structures with special optoelectronic properties and contribute to the development of organic optoelectronic materials.
In summary, 1-benzenesulfonyl-3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate ethyl ester is an extremely important compound in the fields of medicine and chemical industry, promoting technological innovation and progress in related industries.
1-Benzenesulfony-3-Bromo-5-Chloro-4-Fluoro-1H-Indole-2-Carboxylic Acid Ethyl Ester
The synthesis method of 1-benzenesulfonyl-3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylic acid ethyl ester is explained in detail to those with knowledge.
To make this substance, the first method is to use indole as the starting material. First, the indole is protected so that the benzenesulfonyl group is connected to the first position of the indole. This step is usually reacted with benzenesulfonyl chloride and indole in an alkaline environment. Bases such as potassium carbonate, triethylamine, etc., the solvent can be selected from dichloromethane, N, N-dimethylformamide, and the temperature is controlled at 0 ° C to room temperature. When stirring for a few times, 1-benzenesulfonyl indole can be obtained.
Then, the reaction of halogenation is carried out. To obtain 3-bromo-5-chloro-4-fluoro-1-benzenesulfonyl indole, it can be halogenated in steps. Introduce fluorine first, and react with fluorine-containing reagents such as Selectfluor under suitable solvents and conditions to obtain 4-fluoro-1-benzenesulfonyl indole. Then a brominating agent, such as N-bromosuccinimide, in a suitable solvent, such as carbon tetrachloride, under the action of an initiator, light or heat, so that the bromine is connected to the 3 position. Then a chlorinating agent, such as copper chloride, is used to make the chlorine atom occupy 5 positions under specific conditions.
After the halogenation is completed, the esterification reaction is carried out. 1-Benzenesulfonyl-3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylic acid ethyl ester can be obtained by refluxing 2-carboxylic acid with ethanol under the catalysis of concentrated sulfuric acid, or by reacting with acyl chloride and ethanol in the presence of a base.
Another method is available, or it can be composed of a halogenated benzene ring and a suitable nitrogen-containing heterocyclic precursor through a multi-step reaction. However, the steps are cumbersome and the conditions are harsh, which is not as simple as the above method using indole as the starting material. In the process of synthesis, the advantages and disadvantages of each method are mutually exclusive, and it is necessary to choose carefully according to the actual situation, such as the availability of raw materials, cost, yield and other factors.
1-Benzenesulfony-3-Bromo-5-Chloro-4-Fluoro-1H-Indole-2-Carboxylic the physical properties of Acid Ethyl Ester
1-Benzenesulfonyl-3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate ethyl ester is an organic compound. Its physical properties are quite critical, and it is related to many characteristics and uses of this compound.
First, the appearance. Under normal circumstances, this material may be white to off-white crystalline powder with fine and uniform quality. This appearance characteristic is convenient for observation and operation in many experiments and production links.
In terms of solubility, it exhibits good solubility in common organic solvents such as dichloromethane, N, N-dimethylformamide, and can be uniformly miscible with these solvents. However, its poor solubility in water makes it play a significant role in reactions and separation processes involving aqueous or organic phases, and can be effectively separated and purified by differences in solubility.
Melting point is also an important physical property. Its melting point is in a specific temperature range, and accurate determination of the melting point is of great significance for judging the purity of the compound. If the purity is high, the melting point range is narrow and close to the theoretical value; if the purity is low, the melting point range is wide and deviates from the theoretical value. This is a key indicator for purity determination.
In terms of stability, it is relatively stable under conventional conditions, but when it encounters strong oxidizing agents, strong acids or strong bases, the structure is easily affected and chemical reactions occur. Strong light and high temperature environments may also promote its decomposition, so it should be stored in a cool, dry and dark place, and properly stored with suitable packaging materials to prevent contact with external adverse factors.
In terms of density, the specific density gives it a unique physical behavior in the mixture system, which is of great significance to the relevant separation and mixing process. In the process of material transportation and mixing in chemical production, the density data provides the basis for accurate operation.
The physical properties of 1-benzenesulfonyl-3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylic acid ethyl ester have far-reaching influence in chemical research, chemical production and related fields. Only by familiar with and mastering these properties can it be better utilized and processed.
1-Benzenesulfony-3-Bromo-5-Chloro-4-Fluoro-1H-Indole-2-Carboxylic the market outlook for Acid Ethyl Ester
1-Benzenesulfonyl-3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylic acid ethyl ester, which is an organic compound. Looking at its market prospects requires multiple considerations.
From the perspective of scientific research, in organic synthetic chemistry, this compound is regarded as a key intermediate due to its unique structure. In the creation of new indole derivatives, it can participate in various reactions with unique functional groups, paving the way for the synthesis of substances with special biological activities or material properties. In recent years, scientific research has been enthusiastic about the exploration of new indole structures, so its demand for laboratory synthesis may rise, and the market prospect is promising for scientific research purposes.
In the field of pharmaceutical research and development, many indole compounds have significant biological activities, such as anti-cancer, anti-inflammatory, and antibacterial. The halogen atom and benzenesulfonyl group of this compound may modify its activity and pharmacokinetic properties. If in-depth pharmacological research and screening confirm its biological activity and medicinal value, the demand for it from pharmaceutical companies will increase greatly, and the market prospect will be broad. However, pharmaceutical research and development is risky and has a long cycle. There are many challenges from the discovery of activity to the listing of finished drugs.
In the field of materials science, organic functional materials are developing rapidly. Indole derivatives containing special functional groups may emerge in the fields of optoelectronic materials. The structural characteristics of the compound may endow the material with unique optical and electrical properties. If successfully developed, it may gain a place in the organic Light Emitting Diode, sensor and other materials market.
However, there are also obstacles to its marketing activities. The synthesis of the compound or process is complex and costly, limiting large-scale production and application. And the market competition is fierce. Similar structural compounds may already exist in the market. To stand out, you need to show unique advantages. But overall, with its structural characteristics, 1-benzenesulfonyl-3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylic acid ethyl ester still has considerable market prospects after rational development and research in scientific research, medicine, materials and other fields.