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What is the chemical structure of 6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester?
6-Oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester is a kind of organic compound. Looking at its name, "6-oxo" means that there is a carbonyl group ($C = O $) at the 6th position of the pyridine ring. The oxygen atom of this carbonyl group is bound to the carbon atom by double bonds and is quite active in organic structures. " 1,6 - dihydropyridine "indicates that the pyridine ring is not a fully conjugated aromatic pyridine ring, and is in the form of dihydrogen at the 1st and 6th positions, that is, the carbon atoms at these two positions are not connected to adjacent atoms by double bonds, but are bonded to hydrogen atoms, resulting in partial hydrogenation of the pyridine ring, and the stability and reactivity of the structure also vary." 3 - carboxylic acid methyl ester "is shown to be connected to a carboxylic acid methyl ester group at the 3rd position of the pyridine ring. This group is formed by esterification of a carboxyl group ($-COOH $) with methanol, that is, the hydrogen atom of the carboxyl group is replaced by a methyl group ($- CH_3 $) to form a $- COOCH_3 $structure.
In summary, the chemical structure of 6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester is based on a partially hydrogenated pyridine ring with a carbonyl group at 6 and a carboxylic acid methyl ester group at 3. This unique structure endows it 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 6-oxo-6-dihydropyridine-3-carboxylic acid methyl ester
6-Oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester, that is, 6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester, which has a wide range of uses.
First, in the field of medical chemistry, it is often used as a key intermediate. Geinpyridine compounds have diverse biological activities, and the structure of 6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester can be modified by specific reactions to prepare drugs with different pharmacological activities. For example, in the synthesis of some cardiovascular drugs, by introducing specific functional groups into the compound, it can change its interaction with biological targets, thereby regulating the function of the cardiovascular system, and achieving the purpose of treating cardiovascular diseases.
Second, in the field of organic synthesis, it is an important building block for the construction of complex organic molecules. Because its molecular structure contains specific activity check points, various reactions such as esterification, cyclization, and substitution can occur. By rationally designing the reaction route, using this compound as the starting material can gradually build organic compounds with complex structures and specific functions, providing an important way for organic synthesis chemists to explore novel structural and functional materials.
Third, it also has potential applications in the field of materials science. Through appropriate chemical modification, it can be introduced into the main chain or side chain of polymer materials to endow the material with special properties. Such as improving the thermal stability, optical properties or biocompatibility of the material, laying the foundation for the development of new functional materials.
What are the synthesis methods of 6-oxo-6-dihydropyridine-3-carboxylic acid methyl ester
To prepare 6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester, there are many methods. First, it can be achieved by multi-step reaction from suitable starting materials. First, take the compound with active hydrogen, and the one containing carbonyl, condensate under alkali catalysis to form the key intermediate. This step requires temperature control, time control and precise ingredients to promote a smooth reaction and obtain a high-purity product. Bases, such as potassium carbonate and sodium carbonate, can be selected, depending on the activity and conditions of the reaction substrate.
After condensation, the intermediate may need to be modified, or through reduction, oxidation, and substitution reactions, so that its structure asymptotically approaches the target product. When reducing, you can borrow metal hydrides, such as sodium borohydride, lithium aluminum hydride; when oxidizing, you can choose suitable oxidants, such as Jones reagent, potassium permanganate. The substitution reaction is based on the nature of the substrate and the required substituents, and halogenated hydrocarbons, alcohols, amines, etc. are selected as reagents and carried out under catalysis.
In the final step, by esterification reaction, the carboxyl-containing intermediate and methanol are catalyzed by acid to form esters. Commonly used acids are concentrated sulfuric acid, p-toluenesulfonic acid, etc. This reaction is reversible, and water needs to be removed to promote the right balance shift to obtain more target products. The method of removing water is to use a water separator or add a molecular sieve.
There are other methods, or they can be obtained by structural modification from compounds with similar structures on the market. This may require fine organic synthesis methods, such as rearrangement reaction, cyclization reaction, etc. Those who rearrange can use Beckman rearrangement, Claisen rearrangement, etc., according to the substrate structure and reaction conditions, ingeniously design routes to achieve the purpose of simplification and efficient synthesis.
All synthesis methods have their own advantages and disadvantages. In order to practice, it is necessary to consider the availability of raw materials, cost, difficulty of reaction conditions, product purity and yield, and carefully choose the optimal path to achieve the best synthesis.
What are the physical properties of 6-oxo-6-dihydropyridine-3-carboxylic acid methyl ester
Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate, this is an organic compound. Its physical properties are crucial and are relevant to many chemical and industrial uses.
First of all, its appearance is often white to light yellow crystalline powder, fine texture, uniform color, and slightly shiny under normal light. This property can help chemists preliminarily determine its purity and state.
Times and melting point, after accurate determination, are about 150-155 ° C. The stability of the melting point is an important indicator to determine the purity of the compound. If impurities are mixed, the melting point will fluctuate, drop or rise, and the melting range will be elongated.
Furthermore, the solubility of this compound shows good solubility in organic solvents such as dichloromethane, chloroform, N, N-dimethylformamide (DMF). In dichloromethane, it can be rapidly dissolved to form a clear and transparent solution, which is conducive to participating in various organic synthesis reactions. However, in water, its solubility is very small, and it can only be dissolved in a very small amount. Due to the ratio of polar groups to non-polar groups in its molecular structure, its lipophilicity is strong and hydrophilicity is weak.
In addition, its density also has a specific value, which is about 1.3 g/cm ³. This physical property is crucial in processes involving the measurement, separation and purification of reactive materials. The accurate knowledge of density can help chemists accurately control the material ratio of the reaction system and ensure that the reaction proceeds as expected.
The physical properties of 6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester, from appearance, melting point, solubility to density, provide key information for practitioners in the field of chemistry to deeply understand and apply this compound, and play an indispensable role in many fields such as organic synthesis and drug development.
What is the market prospect of 6-oxo-6-dihydropyridine-3-carboxylic acid methyl ester?
Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate is of great value in today's market prospects. Looking at its past, it has begun to emerge in the field of chemical synthesis. In the past, the chemical industry gradually flourished, and the demand for various fine chemicals increased day by day. This compound has gradually entered the field of industry due to its unique activity in specific reactions.
At present, the field of pharmaceutical research and development has considerable prospects. Geinpyridine compounds are often key structural units in drug molecular design, and 6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl esters can be used as many drug intermediates. With the progress of medical technology, the research and development of new drugs has increased, and the demand for them is expected to rise as an important raw material for the synthesis of specific drugs.
Furthermore, there are also opportunities in the field of materials science. With the in-depth research of functional materials, compounds containing pyridine structures may emerge in optical and electrical materials. The characteristics of this compound may make it useful in the synthesis of materials, so the market will pay more attention to it.
However, its market prospects are not without challenges. The innovation of chemical synthesis technology may intensify competition. If a new synthesis path comes out, the production cost will be reduced, and the market structure may be uncertain. And the environmental protection requirements are becoming stricter, and the production process needs to meet strict environmental protection standards, which is also a problem faced by the industry. But overall, driven by the development of medicine and materials, the market prospect of 6-oxo-1,6-dihydropyridine-3-carboxylate methyl ester still has potential and is expected to gain a place in the future market.