4-(3-Methyl-5-Oxo-2,5-Dihydro-1H-Pyrazol-1-Yl)Benzenesulfonic Acid

4- (3-methyl-5-oxy-2,5-dihydro-1H-pyrrole-1-yl) benzoic acid, this compound has important uses in many fields.
In the field of medicinal chemistry, it can be used as a key pharmaceutical intermediate. With the modification and modification of the specific structure of the compound, drug molecules with specific physiological activities can be synthesized. For example, by adjusting the type, position and electronic effect of the substituent, new therapeutic drugs for specific disease targets can be developed, such as anti-tumor and antiviral drugs, which are of great significance to the development of modern medicine.
In the field of materials science, this compound can be used to prepare functional materials. Due to its structural properties, it may endow materials with unique optoelectronic properties. For example, in organic Light Emitting Diode (OLED) materials, rational design and application may improve the material's luminous efficiency, stability and other key performance indicators, promoting the development of new display materials.
In organic synthetic chemistry, it is a multi-functional synthetic building block that can participate in many organic reactions and construct more complex organic molecular structures. Chemists can use its activity check point to achieve efficient synthesis of target products through reactions such as nucleophilic substitution and electrophilic addition, and contribute to the expansion and innovation of organic synthesis methodologies.

4- (3-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-yl) benzoic acid is an organic compound. Its physical properties are as follows:
From the perspective of normal temperature, it may be a solid, but its specific color may change due to purity and crystal form. For high purity, it may be in the state of white crystalline powder. If it contains impurities, the color may be deviated.
On the melting point, due to the presence of benzene ring, carbonyl group and nitrogen heterocyclic structures in the molecule, the interaction with each other causes the intermolecular force to increase. The melting point may be in a higher range, and the specific value may be different due to experimental conditions and test methods.
In terms of solubility, because it contains polar carboxyl groups, it may have a certain solubility in polar solvents (such as water, methanol, ethanol). The carboxyl group can form hydrogen bonds with water molecules to help it dissolve. However, there are also non-polar benzene rings and methyl groups in the molecule, which limit its solubility in water. In non-polar solvents (such as n-hexane, benzene), the solubility is poor, because the polar part is difficult to interact with non-polar solvents.
In addition, the compound may have a certain stability, and the benzene ring structure endows it with a conjugated system, which enhances molecular stability. However, the carbonyl group and carboxyl group in the molecule, or under specific conditions, participate in chemical reactions, such as carbonyl groups can undergo nucleophilic addition, and carboxyl groups can participate in acid-base reactions and esterification reactions.

4- (3-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-yl) benzoic acid, this compound has many chemical properties.
From an acidic point of view, the substance contains a carboxyl group, so it exhibits a certain acidity. The hydrogen atoms in the carboxyl group can be dissociated under suitable conditions, releasing hydrogen ions, thus exhibiting the characteristics of an acid, which can neutralize with the base and generate corresponding salts and water. For example, when reacting with sodium hydroxide, the carboxyl group will combine with the hydroxide ion to form the corresponding carboxylate and water.
The phenyl ring in its structure gives the compound a certain stability. The benzene ring has a large conjugated π bond, which allows the electron cloud to delocalize within the entire benzene ring system, thereby enhancing the stability of the molecule. At the same time, the benzene ring can undergo various electrophilic substitution reactions, such as halogenation reaction, nitration reaction and sulfonation reaction. In the halogenation reaction, the halogen atom can replace the hydrogen atom on the benzene ring under specific conditions; in the nitration reaction, the nitro group can be introduced into the benzene ring; in the sulfonation reaction, the sulfonic acid group will be connected to the benzene ring.
The methyl group in the structure belongs to the power supply group, which can provide electrons to neighboring atoms or groups through induction effects, which in turn affects the distribution of the electron cloud of the molecule, and also affects the reaction activity and selectivity. In addition, the 5-oxo-2,5-dihydro-1H-pyrrole-1-yl part of the structure, in which the oxygen atom and the pyrrole ring together form a unique electronic environment, can participate in reactions such as nucleophilic addition. Some nucleophilic reagents can attack specific positions on oxygen atoms or pyrrole rings and undergo corresponding reactions. In short, this compound exhibits rich and diverse chemical properties due to the synergy of various structural parts.

To prepare 4- (3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-yl) benzoic acid, the following ancient method can be used.
Starting with 3-methyl-1H-pyrazole-5-one as the starting material, this is the key thing. Make it react with suitable halogenated hydrocarbons, such as halobenzoates, under the catalysis of bases. Bases, such as potassium carbonate, interact with organic solvents, such as N, N-dimethylformamide. The halogen atom of halobenzoate is quite active, and it is easy to undergo nucleophilic substitution reaction with the active check point of 3-methyl-1H-pyrazole-5-one to obtain an intermediate.
After obtaining this intermediate, the step of hydrolysis is carried out. Co-heat with a suitable alkali solution, such as sodium hydroxide solution. In this process, the ester group is hydrolyzed to carboxyl groups, and the prototype of the target product is obtained.
However, the product may contain impurities and needs to be further purified. The method of recrystallization can be used to select a suitable solvent, such as ethanol-water mixed solvent. Pure 4- (3-methyl-5-oxo-2,5-dihydro-1H-pyrazole-1-yl) benzoic acid can be obtained after repeated dissolution, cooling and crystallization according to the difference in solubility of the product and impurities in different solvents.
Or another way can be found, using other compounds with similar activity check points as starting materials, and similar substitution, hydrolysis and other series of reactions can also achieve the purpose of preparation. However, the conditions of each step of the reaction and the selection of reagents need to be carefully considered to ensure that the reaction proceeds smoothly and the yield and purity are good.

4- (3-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-yl) benzoic acid should be treated with caution during storage and transportation.
This compound has specific chemical activities and properties. When storing, the first thing to do is to ensure a dry environment. Due to its sensitivity to moisture, humid environments are prone to hydrolysis or other adverse reactions, which damage its chemical structure and purity. It should be stored in a sealed container and placed in a dry and ventilated place. Consider placing a desiccant in the storage space to maintain a dry environment.
Temperature control is also critical. Store in a suitable temperature range according to its characteristics. If the temperature is too high, it may cause the compound to decompose and deteriorate; if the temperature is too low, it may affect its physical state, or even crystallize and solidify, affecting subsequent use. Generally speaking, normal temperature or specific low temperature environments (such as refrigerator refrigeration areas) are more suitable, depending on their stability.
Avoid contact with oxidizing and reducing substances when storing. Some functional groups of the compound may react with these substances and change their chemical properties. Different chemical substances should be stored in zones and clearly marked.
During transportation, the packaging must be stable. Choose suitable packaging materials, such as strong plastic bottles or glass bottles, to ensure that they are not damaged or leaked during transportation bumps. Properly seal the bottle mouth and other parts to prevent external factors from affecting.
The transportation environment should also be kept dry and at a suitable temperature. Transportation tools should have temperature control and moisture-proof measures to avoid damage to the compound due to environmental changes. At the same time, transportation personnel need to understand the basic properties of the compound and emergency treatment methods. In the event of leakage and other accidents, they can deal with it in a timely and correct manner to ensure the safety of personnel and the environment.