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What is the chemical structure of 4-methyl-N- [4- (methylsulfonyl) phenyl] -5- [2- (trifluoromethyl) -phenyl] -1H-pyrrole-3-carboxamide?
This is the naming of an organic compound. To clarify its chemical structure, it is necessary to analyze it according to the naming rules of organic chemistry. " In 4 - methyl - N - [4- (methylsulfonyl) phenyl] -5- [2- (trifluoromethyl) phenyl] -1H - pyrrole - 3 - carboxamide ", there is a methyl substitution at the 4th position of the" 4 - methyl "epipyrrole ring;" N - [4- (methylsulfonyl) phenyl] "shows that the nitrogen atom is connected to 4 - methylsulfonyl phenyl;" 5- [2- (trifluoromethyl) phenyl] "means that the 5th position of the pyrrole ring is connected with 2 - trifluoromethyl phenyl;" 1H - pyrrole - 3 - carboxamide "indicates that the main body is 1H-pyrrole-3-formamide.
According to this, its chemical structure is roughly as follows: pyrrole ring as the core, methyl is added at the 4th position, 2-trifluoromethylphenyl is connected at the 5th position, nitrogen atom is connected to 4-methylsulfonylphenyl, and formamide is connected at the 3rd position. The pyrrole ring is a five-membered nitrogen-containing heterocycle and has aromatic properties. The lone pair electrons of the nitrogen atom participate in the conjugated system. The methyl is attached to the 4th carbon of the pyrrole ring, which changes the electron cloud distribution. 2-trifluoromethylphenyl is connected to the 5th position, and trifluoromethyl has strong electron absorption, which affects the activity of the pyrrole ring. 4-Methylsulfonylphenyl is attached to the nitrogen atom, and methylsulfonyl is also an electron-withdrawing group, which has an effect on the electron cloud density of the pyrrole ring. The 3-position formamide group contains carbonyl and amino groups, which has unique chemical properties and can participate in a variety of reactions. The chemical structure of this compound presents a specific spatial configuration and electronic properties due to the interaction of various substituents, which has an impact on its physicochemical properties and biological activities.
What are the main uses of 4-methyl-N- [4- (methylsulfonyl) phenyl] -5- [2- (trifluoromethyl) -phenyl] -1H-pyrrole-3-carboxamide?
4 - methyl - N - [4 - (methylsulfonyl) phenyl] - 5 - [2 - (trifluoromethyl) phenyl] - 1H - pyrrole - 3 - carboxamide is an organic compound. It has a wide range of uses and is often used as a potential lead compound in the field of pharmaceutical research and development. Due to its specific chemical structure and properties, it may interact with specific targets in organisms, such as certain enzymes or receptors. After research and modification, it may be developed as a drug for the treatment of specific diseases, such as targeting certain inflammatory diseases, or by regulating related signaling pathways to reduce the inflammatory response; for some tumor diseases, it may inhibit the proliferation of tumor cells and induce their apoptosis.
In the field of materials science, this compound may be used to prepare special functional materials. Because it contains specific functional groups, it can endow materials with unique electrical, optical or thermal properties. Such as the preparation of photoelectric materials, or because of its structural properties, charge transfer is generated under light excitation, showing good photoelectric conversion properties, and is used in photoelectric devices such as solar cells.
In organic synthesis chemistry, this compound can be used as a key intermediate. With its complex structure and activity check point, through various organic reactions, such as nucleophilic substitution, electrophilic substitution, etc., further derived compounds with more diverse structures and more unique functions, enriched the library of organic compounds, and provided more material bases and possible paths for the development of organic synthesis chemistry.
What is the preparation method of 4-methyl-N- [4- (methylsulfonyl) phenyl] -5- [2- (trifluoromethyl) -phenyl] -1H-pyrrole-3-carboxamide?
4 - methyl - N - [4 - (methylsulfonyl) phenyl] - 5 - [2 - (trifluoromethyl) phenyl] - 1H - pyrrole - 3 - carboxamide is an organic compound, and its preparation method is as follows:
The starting material selects a pyridine derivative containing the corresponding substituent, a benzene derivative containing a methylsulfonyl group, and a benzene derivative containing a trifluoromethyl group.
The first step is a pyridine derivative-based reaction in a suitable organic solvent such as dichloromethane or N, N-dimethylformamide (DMF), in the presence of a suitable catalyst such as an organic base (such as triethylamine), with a halogenated reagent (such as oxalyl chloride) to convert the carboxyl group of the pyridine-3-position into an acid chloride active intermediate. This reaction needs to be controlled at a temperature of 0-25 ° C for about 1-3 hours to ensure sufficient formation of the acid chloride intermediate.
Subsequently, in the same reaction system, an amine compound containing 4- (methylsulfonyl) phenyl is slowly added. The amine undergoes nucleophilic substitution reaction with the acid chloride intermediate to form an amide bond. This step needs to be carried out under mild conditions, the temperature is maintained at 20-30 ° C, and the reaction time is about 2-4 hours, which promotes the effective formation of amide products.
Next, the 5-position of the pyridine ring is arylated. Add a boric acid compound containing 2 - (trifluoromethyl) phenyl group, use a palladium (Pd) complex (such as tetra (triphenylphosphine) palladium) as a catalyst, and potassium carbonate (K _ 2O _ CO _ 3) as a base. React at 80-110 ° C for 6-10 hours in an organic solvent such as toluene or 1,4-dioxane. This Suzuki coupling reaction can effectively introduce 2- (trifluoromethyl) phenyl at the 5-position of the pyridine ring.
After the reaction is completed, conventional post-treatment methods are used. The reaction solution is first poured into ice water, and the product is extracted with an organic solvent (such as ethyl acetate). Combine the organic phases, wash with saturated saline water, and dry with anhydrous sodium sulfate. Subsequently, by column chromatography, silica gel was used as the stationary phase, petroleum ether and ethyl acetate were mixed in a certain proportion as the mobile phase, and the product was separated and purified. Finally, 4-methyl-N - [4 - (methylsulfonyl) phenyl] - 5 - [2 - (trifluoromethyl) phenyl] - 1H - pyrrole - 3 - carboxamide pure product.
What are the physical and chemical properties of 4-methyl-N- [4- (methylsulfonyl) phenyl] -5- [2- (trifluoromethyl) -phenyl] -1H-pyrrole-3-carboxamide?
4 - methyl - N - [4 - (methylsulfonyl) phenyl] - 5 - [2 - (trifluoromethyl) phenyl] - 1H - pyrrole - 3 - carboxamide is an organic compound with unique physical and chemical properties.
Looking at its physical properties, it may be a solid under normal conditions. Due to the strong intermolecular force caused by the structure of many aromatic rings, its melting point is high. However, the exact melting point value must be accurately determined by experiment. In terms of solubility, in view of the presence of polar groups in the molecule, such as methyl sulfonyl and amide groups, in polar organic solvents such as dimethyl sulfoxide (DMSO), N, N - dimethylformamide (DMF) or have good solubility; in non-polar solvents such as n-hexane, solubility or poor.
When it comes to chemical properties, amide groups are an important reaction check point of this compound. Amids can be hydrolyzed under acid or base catalysis. Under acidic conditions, carboxylic acids and amines are hydrolyzed; under basic conditions, carboxylate and amine are formed. In addition, electrophilic substitution reactions can be carried out on aromatic rings, because aromatic rings are electron-rich. Although the methyl sulfonyl group is relatively stable, under the action of a specific strong reducing agent, a reduction reaction may occur, which changes the molecular structure. At the same time, fluorine-containing trifluoromethyl makes the molecule have unique chemical stability and hydrophobicity, which affects its reactivity and biological activity.
In short, the physical and chemical properties of this compound are determined by its molecular structure. These properties are of great significance in the fields of organic synthesis and drug development. Researchers can carry out relevant experiments and applications accordingly.
4-Methyl-N- [4- (methylsulfonyl) phenyl] -5- [2- (trifluoromethyl) -phenyl] -1H-pyrrole-3-carboxamide What is the price range in the market?
I don't know the price range of 4 - methyl - N - [4 - (methylsulfonyl) phenyl] -5 - [2 - (trifluoromethyl) phenyl] -1H - pyrrole - 3 - carboxamide in the market. This is a rather professional and specific chemical substance, and its price is affected by many factors.
First, the difficulty of preparation has a great impact. If the synthesis steps are complicated, special raw materials and complex processes are required, the cost will be high, and the price will be high. Second, the market demand situation is also critical. If the demand in pharmaceutical research and development, chemical production and other fields is strong and the supply is limited, the price will be high; conversely, if the demand is weak, the price may be low. Third, the purity requirements have a significant impact on the price. Those with high purity are difficult to prepare and the price is much higher than that of low-purity products.
Furthermore, different suppliers bid different prices due to their own cost structures and business strategies. Large and scale suppliers may have slightly lower prices due to good cost control; suppliers focusing on high-end and characteristic products may have higher prices. In addition, regional factors cannot be ignored. Different regions have different market supply and demand, logistics costs, etc., resulting in different prices.
However, I have searched all the ancient books I know, but I have not been able to obtain the exact price range of this substance. If you want to know more, you can consult chemical product trading platforms, chemical reagent suppliers, or relevant industry practitioners, who may be able to tell you the price range based on current market conditions.