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What is the chemical structure of 4- [5- (4-methylphenyl) -3-trifluoromethyl) -1H-pyrazolyl] benzenesulfonamide?
The chemical structure of 4- [5- (4-methylbenzyl) -3-trifluoromethyl) -1H-pyrazolyl] benzylthiophene carboxylic acid is a fine and complex structure in the field of organic chemistry.
In this structure, the "4- [5- (4-methylbenzyl) -3-trifluoromethyl) -1H-pyrazolyl]" part is centered on a pyrazole ring. The pyrazole ring is a five-membered heterocycle containing two adjacent nitrogen atoms and has certain aromatic properties. The hydrogen at 1 position is replaced by benzyl, and the counterposition of this benzyl is connected with a methyl group, which is connected to the trifluoromethyl group at the 3rd position. This trifluoromethyl group has strong electron-withdrawing properties and has a great impact on the distribution and properties of molecular electron clouds. The benzyl group connected to the pyrazolyl group is again connected to thiophenecarboxylic acid. Thiophene is a five-membered heterocyclic ring containing sulfur, which is also aromatic. The thiophene ring is connected to the carboxyl group to form the thiophenecarboxylic acid part.
Overall, the compound combines a variety of functional groups and heterocyclic structures, and the interaction of different groups gives the compound unique chemical, physical and The structure of each part is closely connected, and methyl, trifluoromethyl, benzyl, pyrazole ring, thiophene ring and carboxyl group interact with each other in electronic effects, steric resistance, etc., or affect their solubility, stability, reactivity and biological activity. Many other properties may have potential application value in pharmaceutical chemistry, materials science and other fields.
What are the physical properties of 4- [5- (4-methylphenyl) -3-trifluoromethyl) -1H-pyrazolyl] benzenesulfonamide?
4- [5- (4-methylbenzyl) -3-trifluoromethyl) -1H-pyrazolyl] benzylthiophenone, this physical property is quite complex, let me go through it in detail.
Its appearance is either a crystalline body, with a light yellow color or almost colorless, and it looks transparent. Under normal temperature and pressure, it is as stable as a rock, but when it is baked at high temperature, or when it encounters strong oxidizing agents or strong reducing substances, its properties change.
Talking about the melting point, the melting point, or in a specific temperature range, when the temperature is reached, the solid state gradually melts and turns into a liquid, just like ice and snow meet the spring sun. At the boiling point, under a specific pressure, the liquid phase body turns into the gas phase and rises.
In terms of solubility, organic solvents, such as ethanol, acetone, etc., are soluble in fish water; however, in water media, such as oil and water, it is difficult to blend, and it is rejected.
Above the polarity, because its structure contains different groups, the polarity has its own unique characteristics. This property is related to its behavior in various systems, and has an impact on separation and reaction.
Intermolecular forces also affect its physical properties. Van der Waals forces, hydrogen bonds, etc. are intertwined with each other, affecting its aggregation state and degree of melting.
This material is of great use in the fields of chemical industry and medicine. In chemical industry, it can be used as a raw material, participate in various reactions, and produce various fine products; in medicine, or has potential biological activity, as the cornerstone of new drug development.
What are the main uses of 4- [5- (4-methylphenyl) -3-trifluoromethyl) -1H-pyrazolyl] benzenesulfonamide?
4- [5- (4-methylbenzyl) -3-trifluoromethyl) -1H-pyrazolyl] benzyloxybenzoic acid, this compound has a key use in the field of medicinal chemistry.
In the process of drug development, the compound can precisely bind to specific biological targets due to its unique chemical structure. Taking the development of cancer therapeutic drugs as an example, studies have found that it can act on some key signaling pathways in cancer cells. The abnormal proliferation of cancer cells is closely related to the excessive activation of specific signaling pathways. This compound can be like a delicate "molecular key", embedded in relevant targets, regulating signaling pathways, thereby inhibiting cancer cell proliferation and even inducing cancer cell apoptosis.
In the exploration of anti-inflammatory drugs, it has shown the ability to regulate the release of inflammation-related cytokines. When the body is stimulated by inflammation, it will release a variety of cytokines to trigger an inflammatory response. The compound can precisely act on related cells, regulate the generation and release of cytokines, and reduce inflammatory symptoms.
In addition, in the field of agricultural chemistry, it may be used as an active ingredient of new pesticides. By interfering with specific physiological processes in pests, such as destroying the signaling of the pest's nervous system, or hindering the normal operation of its digestive system, it can achieve the purpose of efficient pest control. Compared with traditional pesticides, it has less impact on the environment and has the advantages of high efficiency, low toxicity and environmental protection. In conclusion, 4- [5- (4-methylbenzyl) -3-trifluoromethyl) -1H-pyrazolyl] benzyloxybenzoic acid has broad prospects in the fields of medicine and agricultural chemistry, and with in-depth research, it is expected to bring many innovative achievements to human health and agricultural production.
What are the synthesis methods of 4- [5- (4-methylphenyl) -3-trifluoromethyl) -1H-pyrazolyl] benzenesulfonamide?
To prepare 4- [5- (4-methylbenzyl) -3-trifluoromethyl) -1H-pyrazolyl] benzenesulfonamide, there are many synthesis methods. The details are as follows:
First take appropriate starting materials, such as aromatics and pyrazoles containing corresponding substituents. The aromatic hydrocarbon can be halogenated to introduce halogen atoms, which can be bromine or chlorine, depending on the reaction conditions and raw material activity. Taking bromination as an example, under the action of light or initiator, a radical substitution reaction with bromine can occur, and bromine atoms can be introduced at suitable positions of aromatics, which lays the foundation for subsequent nucleophilic substitution reactions.
In addition, pyrazole derivatives containing specific substituents are prepared. Usually, carbonyl-containing compounds and hydrazine compounds are used as raw materials, and in appropriate solvents, such as ethanol, dichloromethane, etc., under the catalysis of acid or base, the condensation cyclization reaction forms pyrazole rings. For example, acetylacetone and phenylhydrazine are heated and refluxed under the catalysis of glacial acetic acid to obtain pyrazole derivatives. The derivative needs to have an activity check point for the reaction with the aforementioned halogenated aromatics.
Subsequently, the halogenated aromatics are coupled with pyrazole derivatives. Palladium-catalyzed coupling reactions, such as Suzuki coupling or Stille coupling, can be selected. Taking Suzuki coupling as an example, halogenated aromatics, pyrazole borate derivatives, palladium catalysts (such as tetra (triphenylphosphine) palladium) and bases (such as potassium carbonate) are heated and stirred in an organic solvent (such as toluene-ethanol-water mixed solvent), and through metal transfer and reduction elimination steps, a carbon-carbon bond is formed, and the aromatics are connected to the pyrazole moiety.
Furthermore, the resulting linking product is sulfonamated. First, a sulfonyl chloride group is introduced into the benzene ring in an appropriate way, which can be achieved by the reaction of the benzene ring with sulfonating reagents such as chlorosulfonic acid. Subsequently, the sulfonyl chloride is reacted with ammonia or amine compounds to obtain a sulfonamide structure. If ammonia gas is introduced into the organic solution containing sulfonyl chloride and the reaction temperature and time are controlled, sulfonamidation can be achieved, and the final product 4- [5- (4-methylbenzyl) -3-trifluoromethyl) -1H -pyrazolyl] benzenesulfonamide can be obtained.
During the synthesis process, attention should be paid to the precise control of reaction conditions, such as temperature, pH, reaction time, etc., and the separation and purification of intermediate products is also crucial. Column chromatography, recrystallization and other means are often used to ensure the purity and yield of the product.
What are the precautions for 4- [5- (4-methylphenyl) -3-trifluoromethyl) -1H-pyrazolyl] benzenesulfonamide during storage and transportation?
4- [5- (4-methylphenyl) -3-trifluoromethyl-1H-pyrazolyl] phenylboronic acid should be paid attention to the following numbers during storage and transportation:
First, this material has high chemical activity and is extremely sensitive to environmental factors. When storing, it must be selected in a cool, dry and well-ventilated place, away from fire, heat and oxidants. Because of its violent reaction with strong oxidants, it is dangerous to cause ignition and explosion. During transportation, it is also necessary to ensure that the environment is stable, avoid sudden temperature changes and excessive humidity, in order to prevent chemical reactions from triggering, damaging the purity and stability of the substance.
Second, the substance has certain toxicity and irritation. When operating, be sure to take protective measures, such as wearing appropriate protective gloves, goggles and gas masks, to prevent direct contact with the skin, eyes, or inhalation of its dust and volatiles. If you come into contact accidentally, you should immediately rinse with plenty of water and seek medical treatment according to the specific situation. During transportation, you should also follow the relevant hazardous chemical transportation regulations to ensure that the packaging is in good condition and prevent leakage from causing harm to people and the environment.
Third, packaging and labeling are essential. The packaging used for storage and transportation must be solid and durable, which can effectively prevent leakage and damage. Key information such as the name of the substance, chemical properties, hazardous characteristics and emergency treatment methods should be clearly marked on the outside of the packaging, so that relevant personnel can know and respond. During transportation, it is necessary to strictly follow the established route and time to avoid unnecessary stops and transit and reduce risks.
Fourth, the storage and transportation environment should comply with regulatory requirements. Enterprises and practitioners must strictly follow national and local regulations on the storage and transportation of hazardous chemicals, establish and improve management systems and emergency plans. Regularly check and maintain storage facilities and transportation equipment to ensure safety and reliability. In the event of a leak or other accident, emergency plans can be quickly activated to reduce losses and hazards.