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What is the chemical structure of 2- (2-Oxo-2, 3-Dihydro-1H-Indol-4-Yl) Ethyl 4-Methylbenzenesulfonate?
The structure analysis of this compound, let me tell you in detail. "2- (2-oxo-2,3-dihydro-1H-indole-4-yl) ethyl 4-methylbenzenesulfonate", from its name, this is formed by connecting two parts.
One is the "2- (2-oxo-2,3-dihydro-1H-indole-4-yl) ethyl" fragment. This part is based on the indole ring. In the indole ring, the hydrogen atom at the first position of 1H-indole is unsubstituted, and the 2,3-dihydrogen indicates that the 2,3 positions are saturated carbon, and the 2-position carbonyl oxo is connected, that is, there is a = O group. This carbonyl group affects the electron cloud distribution and reactivity of the ring. And the 4-position is connected to ethyl, and the introduction of ethyl group may change the steric hindrance and lipophilicity of the molecule.
Second, the "4-methylbenzenesulfonate" part. The benzene sulfonate uses the benzene ring as the parent nucleus, and the 4-position of the benzene ring has methyl substitution. The methyl group is the power supplier, which can affect the electron cloud density of the benz The sulfonate group (-OSO 2O -) is attached to the benzene ring, which has good separation properties and is often a key check point in organic reactions. It can participate in nucleophilic substitution and other reactions.
These two parts are connected by an ester bond, that is, the carbon atom at the end of the ethyl group is bound to the sulfonate oxygen atom of the benzene sulfonic acid by an ester bond. The existence of the ester bond gives the molecule the possibility of hydrolysis. Under appropriate conditions, the ester bond can be broken to form corresponding alcohols and sulfonic acids. Overall, the structural characteristics of the compound determine its unique reactions and applications in the fields of organic synthesis, medicinal chemistry, etc.
What are the main uses of 2- (2-Oxo-2, 3-Dihydro-1H-Indol-4-Yl) Ethyl 4-Methylbenzenesulfonate?
2-% (2-oxo-2,3-dihydro-1H-indole-4-yl) ethyl 4-methylbenzenesulfonate, the use of this substance is particularly important. In the field of medicinal chemistry, it is often used as an organic synthesis intermediate to help create a variety of drugs.
The compound has a unique chemical structure and can participate in many key chemical reactions. It can provide specific structural fragments during the construction of complex drug molecules, just like the cornerstone of building a delicate pavilion. When developing new anti-cancer drugs, its structural properties may be used to construct active ingredients that specifically bind to cancer cell targets and interfere with the growth and proliferation pathways of cancer cells, so as to achieve therapeutic purposes.
In the field of materials science, it also has potential applications. It may be used as a key raw material for the synthesis of functional materials, giving materials specific physical and chemical properties. When preparing materials with special optical or electrical properties, its structure may lead to unique intermolecular interactions, improve the performance of materials, and make materials useful in the fields of optoelectronic devices.
In short, 2% (2-oxo-2,3-dihydro-1H-indole-4-yl) ethyl 4-methylbenzenesulfonate has important application potential in the fields of medicine and materials due to its special structure, opening the door to many scientific research and practical applications.
What are the synthesis methods of 2- (2-Oxo-2, 3-Dihydro-1H-Indol-4-Yl) Ethyl 4-Methylbenzenesulfonate?
To prepare 2 - (2 - oxo - 2,3 - dihydro - 1H - indole - 4 - yl) ethyl 4 - methylbenzenesulfonate, the method is as follows:
Take 2,3 - dihydro - 1H - indole - 2 - one as the starting material and modify it at the 4 - position. 4-Halo-2,3-dihydro-1H-indole-2-one intermediates can be obtained by substituting 4-position hydrogen with halogen under suitable reaction conditions by suitable halogenating reagents, such as halogenated sulfoxide or phosphorus halide. This step requires attention to the reaction temperature, time and reagent dosage to avoid overreaction.
Then, this intermediate is reacted with 2-hydroxyethyl 4-methylbenzenesulfonate. Alkali can be selected, such as potassium carbonate, sodium carbonate, etc., in polar organic solvents, such as N, N-dimethylformamide (DMF), dimethyl sulfoxide (DMSO), to promote the nucleophilic substitution reaction of the two. During the reaction, the regulation of temperature is quite critical. If it is too high, it is easy to cause side reactions, and if it is too low, the reaction rate will be slow.
Or take a different approach, first react 4-methylbenzenesulfonyl chloride with 2-ethanol to make 2-hydroxy-ethyl-4-methylbenzenesulfonate. This reaction needs to be carried out in an alkaline environment, such as the presence of pyridine, to promote the reaction to the right After
, 2,3-dihydro-1H-indole-2-one is first prepared into the corresponding metal salt, such as sodium salt or potassium salt, and then reacted with 2-hydroxyethyl-4-methylbenzenesulfonate, which can improve the reactivity and selectivity.
After the reaction is completed, the product is separated and purified by methods such as column chromatography, recrystallization, etc., to remove impurities and obtain a pure 2 - (2-oxo-2,3-dihydro-1H-indole-4-yl) ethyl 4-methylbenzenesulfonate. Each step of the reaction requires precise control of the conditions in order to obtain satisfactory results.
What are the physicochemical properties of 2- (2-Oxo-2, 3-Dihydro-1H-Indol-4-Yl) Ethyl 4-Methylbenzenesulfonate?
2-%282-Oxo-2%2C3-Dihydro-1H-Indol-4-Yl%29Ethyl 4-Methylbenzenesulfonate is an organic compound, and its physical and chemical properties are particularly important.
Looking at its properties, under room temperature and pressure, or as a solid, this is due to its intermolecular forces and structural arrangement. Melting point is also a key property. Different compounds have different melting points. The melting point of this compound depends on the strength of chemical bonds within the molecule and the interaction between molecules. By accurately measuring the melting point, it can help to identify the purity of this compound. If the purity is high, the melting point range is narrow; if it contains impurities, the melting point may decrease and the melting range becomes wider.
In terms of solubility, it may have certain solubility in organic solvents such as dichloromethane and chloroform. Due to the principle of "similar miscibility", some groups in its molecular structure can form interactions such as van der Waals force and hydrogen bonds with organic solvent molecules, which is conducive to dissolution. In water, its solubility may be poor. Due to the strong overall hydrophobicity of the molecule, the force between water molecules and compound molecules is weak, and it is difficult to overcome the interaction between compound molecules to disperse in water.
Stability cannot be ignored. Under normal conditions, if light, hot topics and strong acid-base environments are avoided, this compound may be relatively stable. However, light or luminescent chemical reactions may cause structural changes; hot topic may intensify the thermal motion of molecules and trigger decomposition reactions; strong acid and alkali environments may react with specific functional groups in molecules and destroy their original structures.
Its density is also an inherent property. Compared with similar compounds, it can reflect the degree of molecular packing compactness, and has an impact on its behavior in specific systems, such as distribution in mixed solvents.
In summary, the physical and chemical properties of 2-%282-Oxo-2%2C3-Dihydro-1H-Indol-4-Yl%29Ethyl 4-Methylbenzenesulfonate are of great significance for their synthesis, separation, storage and application.
2- (2-Oxo-2, 3-Dihydro-1H-Indol-4-Yl) What is the price of Ethyl 4-Methylbenzenesulfonate in the market?
I haven't heard of the price of "2- (2-Oxo-2, 3-Dihydro-1H-Indol-4-Yl) Ethyl 4-Methylbenzenesulfonate" in the market. This is a fine chemical, and its price is determined by many factors.
First, purity is the key. If the purity is extremely high, it is almost pure, and can be used in high-end scientific research, pharmaceutical research and development and other precision fields, its price will be high; if the purity is slightly lower, it is used for general industrial purposes, and the price is relatively low.
Second, the market supply and demand relationship has a great impact. If many pharmaceutical companies and scientific research institutions have strong demand for this material, but limited supply, as the so-called "rare things are expensive", the price will rise; on the contrary, if the supply is sufficient and the demand is weak, the price will also fall.
Third, the complexity of the production process is related to the price. If its synthesis requires multiple steps of cumbersome reactions and requires strict reaction conditions, such as precise temperature and pressure control, special catalysts, etc., the cost will be high and the price will be high; if the production process is relatively simple, the cost will be reduced, and the price will be close to the people.
Fourth, the brand and manufacturer also have an impact. A well-known large factory is famous for its quality and reputation, and its product price may be higher than that of ordinary manufacturers.
Therefore, if you want to know the exact price of this product, you need to consult the relevant chemical product supplier in detail, or check it on the chemical product trading platform, in order to get a more accurate price.