Benzyl Pyridine 3 Carboxylate
pyridine pyrrole pyrazine piperidine piperazine

Benzyl pyridine-3-carboxylate

    Specifications

    HS Code

    594278

    Chemical Formula C13H11NO2
    Molecular Weight 213.23 g/mol
    Appearance Solid (predicted, no common color data found)
    Solubility In Water Low, likely less than 1 g/L due to non - polar benzene and pyridine rings
    Solubility In Organic Solvents Soluble in common organic solvents like ethanol, dichloromethane, etc.
    Density Predicted around 1.1 - 1.2 g/cm³
    Pka No data, pyridine - N might have pKa around 5 - 6 in acidic dissociation context
    Stability Stable under normal conditions, but may react with strong oxidizing or reducing agents

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    Frequently Asked Questions

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    What is the chemical structure of Benzyl pyridine-3-carboxylate?
    The chemical structure of benzylpyridine-3-carboxylic acid ester can be as follows. This compound contains two parts of benzyl and pyridine-3-carboxylic acid ester. The benzyl group is a group formed by connecting the benzene ring to the methylene (-CH -2). The benzene ring has a ring structure composed of six carbon atoms, and the carbon atoms are connected by a conjugated double bond to form a stable aromatic system. Methylene is the bridge connecting the benzene ring to the pyridine-3-carboxylic acid ester part.
    The pyridine-3-carboxylic acid ester part, the pyridine ring contains five carbon atoms and one nitrogen atom, and is aromatic. The presence of nitrogen atoms makes the electron cloud of the pyridine ring unevenly distributed, presenting unique chemical properties. The 3rd position of the pyridine ring is connected to the carboxylic acid ester group, and the carboxylic acid ester group is formed by the esterification reaction of the carboxylic group (-COOH) and the alcohol. Here, it is connected to the methylene of the benzyl group to form an ester bond (-COO).
    In this way, the chemical structure of the benzylpyridine-3-carboxylic acid ester is composed of benzyl groups, pyridine rings and their interconnected ester bonds. Each part affects each other, endowing the compound with specific physical and chemical properties, and may have important uses in organic synthesis, medicinal chemistry and other fields.
    What are the main uses of Benzyl pyridine-3-carboxylate?
    Benzylpyridine-3-carboxylate has a wide range of uses. In the field of medicine, it is often a key intermediate for the creation of drugs. Due to its unique structure, it can be chemically modified to derive many compounds with specific pharmacological activities. For example, in the research and development of some antibacterial drugs, benzylpyridine-3-carboxylate is used as the starting material, and through delicate reaction steps, drugs that have a significant inhibitory effect on specific bacteria can be prepared, providing powerful help for the healing of diseases.
    In the field of materials science, it also has extraordinary performance. In the synthesis of specific polymer materials, it can be integrated into it as a functional monomer, giving the material special properties. For example, to make materials have better stability, flexibility or adsorption to specific substances, so as to expand the application of materials in various fields, such as in advanced separation membrane materials, which can be used to achieve efficient material separation.
    Furthermore, in the study of organic synthetic chemistry, benzylpyridine-3-carboxylate is an important reaction substrate. Chemists can use its diverse reaction check points to carry out various organic reactions, such as esterification, substitution, addition, etc., to provide a basis for the construction of more complex and specific functional organic molecules, promote the continuous progress of organic synthetic chemistry, and help explore more novel organic compounds to meet the needs of different fields for special chemicals.
    What are the physical properties of Benzyl pyridine-3-carboxylate?
    Benzylpyridine-3-carboxylic acid ester is a kind of organic compound. Its physical properties are quite well investigated.
    Looking at its morphology, it is often in a crystalline or powder state, which is caused by the intermolecular forces and orderly arrangement. Its color is mostly white or off-white, and this color is derived from the absorption and reflection characteristics of molecules to light.
    As for the melting point, the melting point is within a specific temperature range. This temperature limit is determined by the stability of the molecular structure and the strength of the intermolecular forces. When the temperature rises to the melting point, the thermal motion of the molecule intensifies enough to overcome the lattice energy, so that it can change from a solid state to a liquid state. The boiling point requires a higher temperature. At this time, the molecule obtains enough energy to break free from the liquid phase and escape into the gas phase.
    In terms of solubility, it has a certain solubility in organic solvents such as ethanol and acetone. This is because the organic solvent and benzylpyridine-3-carboxylate molecules can form interactions such as van der Waals force and hydrogen bonds, which promote their dissolution. However, in water, its solubility is poor. Due to the large difference between the polarity of the compound molecule and the polarity of the water molecule, the interaction between water and the compound molecule is weak, making it difficult to disperse it in water.
    Density is also one of its important physical properties, and its density is related to the mass of the molecule and the degree of intermolecular accumulation. The value of the relative density reflects the ratio of its mass per unit volume to water or other reference substances under the same conditions.
    In addition, the refractive index of the compound is also a specific value. The refractive index is a measure of the degree of refraction when light passes through the substance. It is related to the electron cloud structure of the molecule and the degree of molecular arrangement. This value is quite useful in identification and purity analysis.
    What are the synthetic methods of Benzyl pyridine-3-carboxylate
    The synthesis methods of benzylpyridine-3-carboxylic acid esters vary, and can vary according to different raw materials and reaction conditions.
    First, pyridine-3-carboxylic acid and benzyl alcohol can be prepared by esterification reaction. This reaction requires the help of catalysts, common ones are concentrated sulfuric acid or p-toluenesulfonic acid. Mix pyridine-3-carboxylic acid and benzyl alcohol in appropriate proportions, add a catalyst, and heat and stir at a suitable temperature. During the reaction, the acid and alcohol molecules are dehydrated and condensed, and benzylpyridine-3-carboxylic acid esters are gradually produced. After the reaction is completed, the product is purified through neutralization, extraction, distillation and other steps.
    Second, the pyridine-3-carboxylic acid derivative and benzyl halide are used as raw materials to synthesize by nucleophilic substitution reaction. For example, the acid chloride or acid anhydride of pyridine-3-carboxylic acid reacts with benzyl halide in the presence of a base. The base can bind the acid, shift the reaction equilibrium to the right, and promote the formation of the product. In the reaction system, the active group of the pyridine-3-carboxylic acid derivative is substituted with the halogen atom of the benzyl halide to obtain the target product. After the reaction, the pure benzyl pyridine-3-carboxylic acid ester can be obtained through separation and purification.
    Or, the compound containing pyridine and benzyl structure is used as the starting material and obtained by a series of functional group conversion. For example, the pyridine derivative containing the appropriate functional group is first prepared, and then the target molecular structure is gradually constructed by reacting with the benzyl-containing reagent. This approach requires fine design of the reaction steps, according to the characteristics of the raw materials and the structure of the target product, reasonable planning of the reaction sequence and conditions, and multiple steps of reaction to obtain benzylpyridine-3-carboxylate. After that, it also needs to go through a purification step to ensure the purity of the product.
    Benzyl pyridine-3-carboxylate what are the precautions during use
    In the use of benzylpyridine-3-carboxylate, many things need to be paid attention to. This is an organic compound with specific chemical properties, and caution must be used when handling.
    First, safety protection is extremely important. Because of its toxicity and irritation, it is necessary to wear suitable protective equipment when contacting, such as gloves, goggles and laboratory clothes, to prevent it from contacting the skin and eyes. If you come into contact inadvertently, you should immediately rinse with plenty of water and seek medical attention according to the specific situation.
    Second, storage conditions should not be ignored. Store in a cool, dry and well-ventilated place, away from fire sources and oxidants. Because of its flammability, in case of open flames, hot topics or oxidants, there is a risk of ignition and explosion.
    Third, the chemical reaction operation should be fine. When participating in a chemical reaction, the reaction conditions must be strictly controlled, such as temperature, pH and reaction time. Because of its specific requirements for chemical activity, a slight deviation in the reaction conditions may cause poor reaction results or generate by-products.
    Fourth, waste disposal should be compliant. Waste after use cannot be discarded at will. It needs to be properly disposed of in accordance with relevant environmental regulations to prevent pollution to the environment.
    In short, the use of benzylpyridine-3-carboxylic acid ester, from protection, storage, reaction operation to waste disposal, all aspects must be strictly treated to ensure safe and efficient use and avoid adverse consequences.