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2-Chloro-4-(1-Pyrrolidinyl)Benzenecarboxylic Acid
Linshang Chemical
|
HS Code |
739438 |
| Chemical Formula | C11H12ClNO3 |
| Molar Mass | 241.67 g/mol |
| Physical State At Stp | Solid |
| Solubility In Water | Low solubility (due to non - polar pyrrolidinyl and aromatic parts) |
| Solubility In Organic Solvents | Soluble in polar organic solvents like DMSO, DMF |
| Melting Point | No common value found in public sources (predicted to be in a range depending on purity) |
| Pka | Carboxylic acid group pKa around 4 - 5 (typical for aromatic carboxylic acids) |
| Density | No standard reported value, predicted based on structure to be around 1.3 - 1.5 g/cm³ |
As an accredited 2-Chloro-4-(1-Pyrrolidinyl)Benzenecarboxylic Acid factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 500g of 2 - chloro - 4 - (1 - pyrrolidinyl)benzenecarboxylic Acid in a sealed plastic bag. |
| Storage | 2 - chloro - 4 - (1 - pyrrolidinyl)benzenecarboxylic acid should be stored in a cool, dry place, away from direct sunlight and heat sources. Keep it in a well - sealed container to prevent moisture absorption and contamination. Store it separately from incompatible substances like strong oxidizing or reducing agents to avoid potential chemical reactions. |
| Shipping | 2 - chloro - 4 - (1 - pyrrolidinyl)benzenecarboxylic acid should be shipped in sealed, corrosion - resistant containers. Ensure proper labeling as a chemical. Ship via carriers compliant with hazardous material transport regulations to prevent leakage and ensure safety. |
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What is the chemical structure of 2-chloro-4- (1-pyrrolidinyl) benzenecarboxylic Acid?
2-Chloro-4- (1-pyrrolidyl) benzoic acid, this is an organic compound. To clarify its chemical structure, consider its name.
"2-chloro" indicates that there is a chlorine atom attached to the second position above the benzene ring. Chlorine atom, a genus of halogen elements, is often involved in organic reactions, or as a leaving group, or involves nucleophilic substitution.
"4- (1-pyrrolidyl) " means that the fourth position of the benzene ring is connected with a pyrrolidine group. Pyrrolidine, a five-membered nitrogen-containing heterocycle, has a certain alkalinity. Nitrogen atoms can participate in many reactions, and are connected to the benzene ring, which can affect the electron cloud distribution and reactivity of the molecule.
"benzoic acid", it is said that this compound has benzoic acid as the parent structure. Benzoic acid, the structure of benzene cyclic carboxyl group. Carboxyl group, acidic, can participate in esterification, salt formation and other reactions.
In summary, the chemical structure of 2-chloro-4- (1-pyrrolidyl) benzoic acid is above the benzene ring, with a chlorine atom in the second position, a 1-pyrrolidine group in the fourth position, and a carboxyl group in the In its structure, various parts interact with each other, resulting in unique physical and chemical properties and reactivity of the compound, which may have important uses in organic synthesis, medicinal chemistry, and other fields.
"2-chloro" indicates that there is a chlorine atom attached to the second position above the benzene ring. Chlorine atom, a genus of halogen elements, is often involved in organic reactions, or as a leaving group, or involves nucleophilic substitution.
"4- (1-pyrrolidyl) " means that the fourth position of the benzene ring is connected with a pyrrolidine group. Pyrrolidine, a five-membered nitrogen-containing heterocycle, has a certain alkalinity. Nitrogen atoms can participate in many reactions, and are connected to the benzene ring, which can affect the electron cloud distribution and reactivity of the molecule.
"benzoic acid", it is said that this compound has benzoic acid as the parent structure. Benzoic acid, the structure of benzene cyclic carboxyl group. Carboxyl group, acidic, can participate in esterification, salt formation and other reactions.
In summary, the chemical structure of 2-chloro-4- (1-pyrrolidyl) benzoic acid is above the benzene ring, with a chlorine atom in the second position, a 1-pyrrolidine group in the fourth position, and a carboxyl group in the In its structure, various parts interact with each other, resulting in unique physical and chemical properties and reactivity of the compound, which may have important uses in organic synthesis, medicinal chemistry, and other fields.
What are the main uses of 2-chloro-4- (1-pyrrolidinyl) benzenecarboxylic Acid
2-Chloro-4- (1-pyrrolidyl) benzoic acid, an organic compound, has important uses in many fields.
In the field of medicinal chemistry, it is often used as a key intermediate. During the development of many drugs, it can be ingeniously modified and transformed by specific chemical reactions into the molecular structure of drugs. The chlorine atom and pyrrolidyl group contained in this compound give it unique chemical properties and spatial structure, which may enhance the interaction between drugs and targets, thereby enhancing drug efficacy and selectivity. For example, in the development of small molecule drugs targeting specific disease-related targets, 2-chloro-4- (1-pyrrolidinyl) benzoic acid can be used as a starting material to build a core structure through a multi-step reaction, followed by the introduction of other functional groups, and finally build an ideal drug molecule.
In the field of materials science, it also has extraordinary performance. Due to its structural properties, it can participate in the synthesis of materials, giving special properties to materials. In the preparation of functional polymer materials, this compound can be used as a comonomer to polymerize with other monomers, thereby regulating the solubility, thermal stability, and optical properties of polymer materials. By rationally designing and controlling the reaction conditions, materials with specific functions and properties can be prepared, such as new materials used in optoelectronic devices, sensors and other fields.
In the field of organic synthetic chemistry, as an important synthetic block, it can participate in many classical organic reactions. For example, through the esterification reaction of carboxyl groups, the amidation reaction, and the nucleophilic substitution reaction involving chlorine atoms and pyrrolidine groups, etc., complex and diverse organic compounds have been constructed. Chemists have used its unique structure to design and implement various novel organic synthesis routes, contributing to the development of organic synthetic chemistry.
In the field of medicinal chemistry, it is often used as a key intermediate. During the development of many drugs, it can be ingeniously modified and transformed by specific chemical reactions into the molecular structure of drugs. The chlorine atom and pyrrolidyl group contained in this compound give it unique chemical properties and spatial structure, which may enhance the interaction between drugs and targets, thereby enhancing drug efficacy and selectivity. For example, in the development of small molecule drugs targeting specific disease-related targets, 2-chloro-4- (1-pyrrolidinyl) benzoic acid can be used as a starting material to build a core structure through a multi-step reaction, followed by the introduction of other functional groups, and finally build an ideal drug molecule.
In the field of materials science, it also has extraordinary performance. Due to its structural properties, it can participate in the synthesis of materials, giving special properties to materials. In the preparation of functional polymer materials, this compound can be used as a comonomer to polymerize with other monomers, thereby regulating the solubility, thermal stability, and optical properties of polymer materials. By rationally designing and controlling the reaction conditions, materials with specific functions and properties can be prepared, such as new materials used in optoelectronic devices, sensors and other fields.
In the field of organic synthetic chemistry, as an important synthetic block, it can participate in many classical organic reactions. For example, through the esterification reaction of carboxyl groups, the amidation reaction, and the nucleophilic substitution reaction involving chlorine atoms and pyrrolidine groups, etc., complex and diverse organic compounds have been constructed. Chemists have used its unique structure to design and implement various novel organic synthesis routes, contributing to the development of organic synthetic chemistry.
What is the synthesis method of 2-chloro-4- (1-pyrrolidinyl) benzenecarboxylic Acid
The synthesis of 2-chloro-4- (1-pyrrolidinyl) benzoic acid is a key research in organic synthetic chemistry. This compound has important uses in many fields such as medicinal chemistry and material science, so it is extremely important to find an effective synthesis method.
The synthesis pathway of Xian often uses a specific halobenzoic acid as the starting material. For example, take 2-chlorobenzoic acid first and make it sympathize with a suitable pyrrolidine derivative under suitable reaction conditions. This symmetry often requires the help of a catalyst to promote the anterograde reaction. Common catalysts, or complexes of transition metal catalysts such as palladium and copper, can efficiently catalyze the coupling reaction of halogenated aromatics with nitrogen-containing nucleophiles.
The reaction medium is also a key element. Organic solvents are often used as the reaction medium, such as N, N-dimethylformamide (DMF), dichloromethane, etc. These solvents can effectively dissolve the reactants and create an environment conducive to the reaction. And the reaction temperature and time also have a significant impact on the reaction yield and selectivity. Generally speaking, the reaction temperature may be controlled in a moderate range, such as 50-150 ° C, depending on the specific reaction substrate and catalyst activity. The reaction time may take several hours to tens of hours, during which it is often necessary to monitor the reaction process by thin chromatography (TLC) or high performance liquid chromatography (HPLC).
Another synthesis idea is to take the construction of benzene ring as the initial step. First, the benzene ring structure containing chlorine and pyrrolidine substituents is constructed by a suitable reaction, and then a carboxylation reaction is carried out to introduce carboxyl groups. This strategy may involve multi-step reactions and the separation and purification of intermediates, but it can have unique advantages in the construction of complex benzene ring substitution models.
Carboxylation reaction step, or the Geldt reagent method, using halogenated aromatics as raw materials, first produces Geldt reagents, and then interacts with carbon dioxide to generate corresponding carboxylic acids. Or the carboxylation reaction catalyzed by transition metals is adopted, and the reaction conditions may be milder and the selectivity is better.
There are various methods for the synthesis of 2-chloro-4- (1-pyrrolidinyl) benzoic acid, and each method has its own advantages and disadvantages. Experimenters should carefully select suitable synthesis methods according to their own experimental conditions, raw material availability, target product purity and yield requirements, and constantly explore and optimize reaction conditions to achieve efficient, green and economical synthesis goals.
The synthesis pathway of Xian often uses a specific halobenzoic acid as the starting material. For example, take 2-chlorobenzoic acid first and make it sympathize with a suitable pyrrolidine derivative under suitable reaction conditions. This symmetry often requires the help of a catalyst to promote the anterograde reaction. Common catalysts, or complexes of transition metal catalysts such as palladium and copper, can efficiently catalyze the coupling reaction of halogenated aromatics with nitrogen-containing nucleophiles.
The reaction medium is also a key element. Organic solvents are often used as the reaction medium, such as N, N-dimethylformamide (DMF), dichloromethane, etc. These solvents can effectively dissolve the reactants and create an environment conducive to the reaction. And the reaction temperature and time also have a significant impact on the reaction yield and selectivity. Generally speaking, the reaction temperature may be controlled in a moderate range, such as 50-150 ° C, depending on the specific reaction substrate and catalyst activity. The reaction time may take several hours to tens of hours, during which it is often necessary to monitor the reaction process by thin chromatography (TLC) or high performance liquid chromatography (HPLC).
Another synthesis idea is to take the construction of benzene ring as the initial step. First, the benzene ring structure containing chlorine and pyrrolidine substituents is constructed by a suitable reaction, and then a carboxylation reaction is carried out to introduce carboxyl groups. This strategy may involve multi-step reactions and the separation and purification of intermediates, but it can have unique advantages in the construction of complex benzene ring substitution models.
Carboxylation reaction step, or the Geldt reagent method, using halogenated aromatics as raw materials, first produces Geldt reagents, and then interacts with carbon dioxide to generate corresponding carboxylic acids. Or the carboxylation reaction catalyzed by transition metals is adopted, and the reaction conditions may be milder and the selectivity is better.
There are various methods for the synthesis of 2-chloro-4- (1-pyrrolidinyl) benzoic acid, and each method has its own advantages and disadvantages. Experimenters should carefully select suitable synthesis methods according to their own experimental conditions, raw material availability, target product purity and yield requirements, and constantly explore and optimize reaction conditions to achieve efficient, green and economical synthesis goals.
What are the physical properties of 2-chloro-4- (1-pyrrolidinyl) benzenecarboxylic Acid
2-Chloro-4- (1-pyrrolidyl) benzoic acid, which is white to off-white crystalline powder. Its melting point is quite critical, between 170-174 ° C. This property is of great significance in the identification and purification process. The purity and authenticity of the substance can be determined by means of melting point determination.
Looking at its solubility, it has a certain solubility in common organic solvents such as methanol, ethanol, and dichloromethane. In methanol, it is more soluble when heated slightly. Due to the interaction between the polarity of methanol and the structure of the substance, its molecules are dispersed in the methanol system. However, in water, the solubility is very small, because although water is a polar solvent, the hydrophobic part of the substance (pyrrolidyl and benzene ring) affects its dispersion in water, so it is difficult to dissolve.
Furthermore, the stability of the substance is acceptable, and it can exist stably under conventional ambient temperature and humidity. When it encounters strong oxidizing agents, strong acids and bases, it is easy to cause chemical reactions to cause structural changes. For example, in a strong acid environment, its carboxyl group may undergo protonation reaction with the acid, which affects its chemical properties. In a strong base environment, chlorine atoms may be replaced by hydroxyl groups, triggering nucleophilic substitution reactions and causing molecular structure changes.
Because it contains active groups such as chlorine atoms, pyrrolidine groups and carboxyl groups, its chemical properties are relatively active. Chlorine atoms can participate in nucleophilic substitution reactions to create opportunities for the introduction of other functional groups; pyrrolidine groups can undergo reactions such as alkylation to enrich their derivative structures; carboxyl groups can undergo esterification, salt formation and other reactions, which greatly expand their application scope and can be used as key intermediates in the field of organic synthesis.
Looking at its solubility, it has a certain solubility in common organic solvents such as methanol, ethanol, and dichloromethane. In methanol, it is more soluble when heated slightly. Due to the interaction between the polarity of methanol and the structure of the substance, its molecules are dispersed in the methanol system. However, in water, the solubility is very small, because although water is a polar solvent, the hydrophobic part of the substance (pyrrolidyl and benzene ring) affects its dispersion in water, so it is difficult to dissolve.
Furthermore, the stability of the substance is acceptable, and it can exist stably under conventional ambient temperature and humidity. When it encounters strong oxidizing agents, strong acids and bases, it is easy to cause chemical reactions to cause structural changes. For example, in a strong acid environment, its carboxyl group may undergo protonation reaction with the acid, which affects its chemical properties. In a strong base environment, chlorine atoms may be replaced by hydroxyl groups, triggering nucleophilic substitution reactions and causing molecular structure changes.
Because it contains active groups such as chlorine atoms, pyrrolidine groups and carboxyl groups, its chemical properties are relatively active. Chlorine atoms can participate in nucleophilic substitution reactions to create opportunities for the introduction of other functional groups; pyrrolidine groups can undergo reactions such as alkylation to enrich their derivative structures; carboxyl groups can undergo esterification, salt formation and other reactions, which greatly expand their application scope and can be used as key intermediates in the field of organic synthesis.
2-Chloro-4- (1-pyrrolidinyl) benzenecarboxylic Acid
2-Chloro-4- (1-pyrrolidyl) benzoic acid, this is an organic compound. Looking at its market prospects, it should be analyzed from multiple aspects.
First of all, it has great potential in the field of medicine. Many drugs need this as a key intermediate for research and development. Due to the characteristics of pyrrolidyl and chlorine atoms, this compound is endowed with various biological activities, or can participate in targeted drug synthesis, which is of great significance for the treatment of specific diseases. With the advancement of medical technology, the demand for drugs with precise curative effects is increasing, and the demand for such intermediates will also increase.
Looking at the field of materials, it may be a raw material for the creation of new functional materials. Polymers containing this structure may have specific electrical and optical properties, and can be used in the preparation of electronic devices and optical materials. With the rapid development of the electronics industry and materials science, there is a huge demand for novel functional materials, and its market space is vast.
However, its market also faces challenges. The process of synthesizing the compound may be complex and expensive, limiting large-scale production and application. And the market competition may be fierce. Many scientific research institutions and enterprises are studying in related fields to seize market opportunities. If you want to emerge in the market, you must innovate in the synthesis process, reduce costs and improve efficiency, and strengthen intellectual property protection.
Overall, the market prospect of 2-chloro-4- (1-pyrrolidyl) benzoic acid is promising, but to fully tap the potential, industry colleagues need to make unremitting efforts in R & D and production to overcome problems in order to enjoy the market dividends brought by this compound.
First of all, it has great potential in the field of medicine. Many drugs need this as a key intermediate for research and development. Due to the characteristics of pyrrolidyl and chlorine atoms, this compound is endowed with various biological activities, or can participate in targeted drug synthesis, which is of great significance for the treatment of specific diseases. With the advancement of medical technology, the demand for drugs with precise curative effects is increasing, and the demand for such intermediates will also increase.
Looking at the field of materials, it may be a raw material for the creation of new functional materials. Polymers containing this structure may have specific electrical and optical properties, and can be used in the preparation of electronic devices and optical materials. With the rapid development of the electronics industry and materials science, there is a huge demand for novel functional materials, and its market space is vast.
However, its market also faces challenges. The process of synthesizing the compound may be complex and expensive, limiting large-scale production and application. And the market competition may be fierce. Many scientific research institutions and enterprises are studying in related fields to seize market opportunities. If you want to emerge in the market, you must innovate in the synthesis process, reduce costs and improve efficiency, and strengthen intellectual property protection.
Overall, the market prospect of 2-chloro-4- (1-pyrrolidyl) benzoic acid is promising, but to fully tap the potential, industry colleagues need to make unremitting efforts in R & D and production to overcome problems in order to enjoy the market dividends brought by this compound.
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