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What is the chemical structure of 2-Amino-1- [4-Fluoro-3- (Trifluoromethyl) Phenyl] -2- {[ (4-Methylbenzene) Sulfonyl] Oxy} Ethan-1-One
This is the name of an organic compound. To know its chemical structure, it is necessary to disassemble this name to analyze it. "2 - Amino - 1 - [4 - Fluoro - 3 - (Trifluoromethyl) phenyl] - 2 - {[ (4 - Methylbenzene) sulfonyl] oxy} ethan - 1 - one".
The first view of "ethan - 1 - one" shows that its basic carbon chain is ethane structure, and it has a carbonyl group (C = O) at position 1, which is the core skeleton part of the compound.
Looking at "2-Amino" again, it shows that there is an amino group (-NH2O) attached to the carbon atom of ethane at the 2nd position.
"1 - [4-Fluoro-3- (Trifluoromethyl) phenyl]", which means that the carbon atom at the 1st position is connected to a phenyl group. The 4th position of this phenyl group has a fluorine atom (-F), and the 3rd position has a trifluoromethyl (-CF).
Finally "2 - {[ (4 - Methylbenzene) sulfonyl] oxy}", indicating that the carbon atom at the 2nd position is also connected with a group, which is composed of p-methylbenzene sulfonyl (4 - methylbenzene is connected to the sulfonyl group) and oxygen atoms, namely - O - SO - benzene ring - CH (benzene ring has methyl groups at the 4th position).
In summary, the chemical structure of this compound is ethane as the skeleton, with a carbonyl group at the 1st position, an amino group at the 2nd position and an -O-SO-O2-benzene ring-CH-group, and a phenyl group attached to the carbon atom at the 1st carbonyl group. The 3rd position of the phenyl group has -CF, and the 4th position has -F. Its structure is complex, and each group is connected to each other to construct the unique chemical structure of this organic compound.
2-Amino-1- [4-Fluoro-3- (Trifluoromethyl) Phenyl] -2- {[ (4-Methylbenzene) Sulfonyl] Oxy} What is the main use of Ethan-1-One
2-Amino-1- [4-fluoro-3- (trifluoromethyl) phenyl] -2 - {[ (4-methylbenzene) sulfonyl] oxy} ethyl-1-one, an organic compound. It has a wide range of uses and is often used as a key intermediate in the field of medicinal chemistry.
As far as drug development is concerned, due to its unique chemical structure, it can be cleverly combined with other compounds through specific chemical reactions to construct molecular structures with specific biological activities, laying the foundation for the creation of new drugs. For example, in the study of anti-tumor drugs, researchers search for innovative drugs that have targeted inhibitory effects on tumor cells by modifying and modifying their structures.
In the field of organic synthetic chemistry, it also plays an important role. Because of its active groups, it can participate in a variety of organic reactions, such as nucleophilic substitution, electrophilic addition, etc., to assist in the synthesis of complex organic compounds, providing a powerful tool for organic synthetic chemists to expand their synthesis routes and enrich the variety of compounds. Chemists can skillfully use its properties to construct novel carbon-carbon bonds and carbon-heteroatomic bonds, and synthesize organic materials with specific properties and functions for use in the field of materials science, such as the preparation of high-performance luminescent materials, conductive polymers, etc.
What are the synthesis methods of 2-Amino-1- [4-Fluoro-3- (Trifluoromethyl) Phenyl] -2- {[ (4-Methylbenzene) Sulfonyl] Oxy} Ethan-1-One
To prepare 2-amino-1- [4-fluoro-3- (trifluoromethyl) phenyl] -2 - {[ (4-methylbenzene) sulfonyl] oxy} ethyl-1-one, there are many ways to synthesize it.
First, 4-fluoro-3- (trifluoromethyl) benzaldehyde can be taken first, and it can be condensed with nitromethane to obtain the corresponding nitroolefin. This reaction needs to be catalyzed by a suitable base, carried out in an organic solvent, such as ethanol or dichloromethane, and controlled at room temperature to moderate warming, to obtain a good yield. Then, the resulting nitroolefin is reduced with a suitable reducing agent, such as hydrogen and palladium-carbon catalyst system, or iron/hydrochloric acid system, to obtain the corresponding amine. This reduction step requires attention to the reaction conditions. When reducing hydrogen, the pressure and temperature need to be precisely controlled to ensure a smooth and efficient reaction.
Take 4-methylbenzenesulfonyl chloride and react with the prepared amine in the presence of a base, such as triethylamine or pyridine, in an organic solvent such as dichloromethane or chloroform, slowly add sulfonyl chloride at low temperature to obtain the target product. In this reaction, the amount of base, reaction temperature and time all have a great impact on the yield and purity.
Second, 4-fluoro-3- (trifluoromethyl) benzoic acid can also be used as a starting material, and it is first converted into an acid chloride. The commonly used reagent is dichlorosulfoxide. The reaction is usually carried out under heating and reflux conditions to ensure complete reaction. Then, the acid chloride is reacted with ethanolamine to obtain the corresponding amide. This amide is then reacted with 4-methylbenzenesulfonyl chloride under alkali catalysis, which is similar to the previous method. After careful regulation of the reaction conditions, the target compound can also be obtained.
All synthesis methods have their own advantages and disadvantages, and they need to be carefully selected according to actual needs, considering the availability of raw materials, the difficulty of reaction conditions, yield and purity.
What are the physicochemical properties of 2-Amino-1- [4-Fluoro-3- (Trifluoromethyl) Phenyl] -2- {[ (4-Methylbenzene) Sulfonyl] Oxy} Ethan-1-One
This is a 2-amino-1- [4-fluoro-3- (trifluoromethyl) phenyl] -2 - {[ (4-methylbenzene) sulfonyl] oxy} ethyl-1-one substance. Its physical and chemical properties are as follows:
Looking at its morphology, it is a crystalline solid. Because of its molecular structure, there are many polar groups and aromatic rings, which are easy to cause molecular interactions and promote crystallization. When it comes to color, or white to off-white, this is a common color of many organic compounds containing aromatic rings and polar groups.
In terms of melting point, due to the action of intramolecular hydrogen bonds and van der Waals forces, its melting point may be in a specific range. However, the exact value needs to be determined experimentally, because of the complexity of the molecular structure, it is difficult to accurately infer by theory.
In terms of solubility, given that there are both hydrophobic aromatic rings and trifluoromethyl groups in the molecule, as well as hydrophilic amino groups, carbonyl groups and sulfonyloxy groups, in organic solvents, or soluble in some polar organic solvents, such as dichloromethane, acetone, etc., because it can interact with the hydrophobic part and form weak interactions such as hydrogen bonds with the hydrophilic part; the solubility in water may be limited, although there are hydrophilic groups, the hydrophobic part will also limit its solubility in water.
In terms of stability, the aromatic ring is relatively stable in the structure of the compound, but functional groups such as amino, carbonyl and sulfonyloxy groups may participate in specific chemical reactions. Under acidic or basic conditions, amino groups may be protonated, sulfonyloxy groups may undergo reactions such as hydrolysis, which affect their stability. In light and heating environments, it is also necessary to consider the change of its structure. Although the aromatic ring is stable, long-term light or high temperature may cause molecular excited state changes, triggering chemical reactions.
In summary, the physical and chemical properties of this 2-amino-1- [4-fluoro-3- (trifluoromethyl) phenyl] -2 - {[ (4-methylbenzene) sulfonyl] oxy} ethyl-1-one are determined by its complex molecular structure, and the above properties need to be carefully considered in practical application and research.
What is the market outlook for 2-Amino-1- [4-Fluoro-3- (Trifluoromethyl) Phenyl] -2- {[ (4-Methylbenzene) Sulfonyl] Oxy} Ethan-1-One?
2-Amino-1 - [4-fluoro-3- (trifluoromethyl) phenyl] - 2 - {[ (4-methylbenzene) sulfonyl] oxy} ethyl-1-one, this compound has both opportunities and challenges in the current market prospect.
Looking at its application field, this compound has potential value in the field of pharmaceutical research and development. Because the field of medicine is constantly seeking new compounds, in order to find better treatment plans and drug targets. The unique chemical structure of this compound may lay the foundation for the development of innovative drugs for specific diseases. If anti-tumor, anti-viral and other drugs are created, its prospects seem to be promising at the forefront of pharmaceutical research and development.
However, the road of marketing activities is not smooth. First, the complexity of the synthesis process is actually a major obstacle. The preparation of this compound requires fine and complex chemical steps, and the control of reaction conditions is also required, which makes the production cost high. The high cost makes it difficult to have a price advantage in the market competition. Second, the strict regulation of regulations is also a factor that cannot be ignored. Pharmaceutical compounds must go through many strict clinical trials and approval processes before they can enter the market. It takes a lot of time, manpower and capital for this compound to pass many barriers.
Looking at the market competition situation, the global chemical and pharmaceutical research and development field is highly competitive. Although this compound may have unique properties, many scientific research teams are also exploring compounds with similar functions. If other competitors take the lead in conquering technical problems, reducing costs and successfully introducing it to the market, the prospects of this compound may be affected.
However, it should also be noted that with the continuous advancement of science and technology, synthetic technology may have breakthroughs and innovations, and costs are expected to be reduced. And the pharmaceutical market has a huge demand. If cost and regulatory issues can be effectively solved, this compound still has the opportunity to emerge in the market and gain a place.