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What is the chemical structure of 6-oxo-1,6-dihydropyridine-2-carboxylate?
The chemical structure of 6-oxo-1,6-dihydropyridine-2-carboxylate, or 6-oxo-1,6-dihydropyridine-2-carboxylate, contains the core part of the pyridine ring. The pyridine ring is a six-membered nitrogen-containing heterocyclic ring composed of five carbon atoms and one nitrogen atom.
In this structure, 1,6-dihydro indicates that one hydrogen atom is added to each of the 1 and 6 carbon atoms of the pyridine ring, causing the two carbon atoms to change from the original sp ² hybridization to the sp ³ hybridization, resulting in some regional unsaturation of the ring. The 6-oxo generation makes it clear that the 6-position carbon atom is connected to an oxygen atom by a double bond to form a carbonyl group. This carbonyl group has high reactivity and can participate in many chemical reactions, such as nucleophilic addition reactions.
In addition, 2-carboxylate means that a carboxylic acid ester group is connected to the 2-position carbon atom of the pyridine ring. The carboxylic acid ester group is derived from the esterification reaction of carboxyl groups and alcohols, and its general formula is - COOR (R stands for hydrocarbon group). This group imparts a certain polarity and chemical activity to the whole molecule, and can participate in various reactions such as hydrolysis and alcoholysis. The chemical structure of 6-oxo-1,6-dihydropyridine-2-carboxylate exhibits unique physical and chemical properties due to the existence and interaction of these groups, and has important research and application value in many fields such as organic synthesis and medicinal chemistry.
What are the common applications of 6-oxo-1, 6-dihydropyridine-2-carboxylate
6-Oxo-1,6-dihydropyridine-2-carboxylate is one of the organic compounds. It is commonly used in many fields.
In the field of medicinal chemistry, this compound can be used as a key intermediate for the synthesis of drug molecules with specific biological activities. Due to its specific chemical structure, it may interact with targets in organisms, thus demonstrating potential pharmacological effects such as antibacterial, anti-inflammatory, and anti-tumor. For example, by modifying and modifying its structure, chemists try to create novel and highly effective drugs to deal with various disease challenges.
In the field of materials science, 6-oxo-1,6-dihydropyridine-2-carboxylate also has its place. Or it can participate in polymer synthesis and give materials unique physical and chemical properties. Such as improving the thermal stability and mechanical properties of materials, or giving them special optical properties. On this basis, high-performance materials suitable for different scenarios can be prepared, such as special materials required in aerospace, electronic devices and other fields.
Furthermore, in the field of organic synthesis chemistry, it is an important organic building block, providing the possibility to construct complex organic molecular structures. Chemists rely on their unique reactivity to build a diverse molecular framework through various organic reactions, such as condensation reactions, cyclization reactions, etc., to expand the structural diversity of organic compounds and promote the continuous development of organic synthetic chemistry.
What are the synthesis methods of 6-oxo-1, 6-dihydropyridine-2-carboxylate
The synthesis method of 6-oxo-1,6-dihydropyridine-2-carboxylic acid esters has been known for a long time, and is described in detail below.
In the past, chemists used the classical chemical synthesis path, relying on the method of condensation reaction. First, a specific nitrogen-containing compound and a carbonyl-containing compound were co-placed in a reactor under suitable reaction conditions. With a specific catalyst, or an acid or base, the pH of the reaction system was regulated to create an environment conducive to the reaction. Temperature is also critical, or it needs to be heated to a specific temperature range, so that the activity of the molecule is sufficient to react, but not to overreact and cause the product to be impure. After the condensation step, the molecules are cleverly rearranged and combined, and the precursor of 6-oxo-1,6-dihydropyridine-2-carboxylic acid ester is obtained. Subsequently, through modification reactions such as esterification, the carboxylic acid ester groups are precisely introduced, and the target product is finally obtained.
Furthermore, organometallic catalysis is also commonly used. Select a specific organometallic complex, which acts as a delicate conductor to guide the process of the reaction. Such metal complexes can specifically bind to the reactant molecules, change the distribution of their electron clouds, and reduce the activation energy of the reaction. Under mild conditions, the reaction that was originally difficult to occur can proceed smoothly. In the reaction system, the proportion of each reactant and the length of the reaction time need to be carefully controlled. If there is a slight difference, the yield and purity of the product will be affected.
In addition, in recent years, the concept of green synthesis has gradually emerged. Chemists are committed to finding a more environmentally friendly and sustainable synthesis path. Or use biological enzyme catalysis to simulate the chemical reaction process in living organisms. Biological enzymes have a high degree of selectivity and catalytic efficiency, and the reaction conditions are mild, the energy consumption is low, and the waste generated is also small. Using renewable raw materials as starting materials and catalyzed by biological enzymes, the synthesis of 6-oxo-1,6-dihydropyridine-2-carboxylic acid esters is in line with the trend of the times.
The above synthetic methods have their own advantages and disadvantages. Chemists need to weigh the cost, yield, purity and many other factors according to actual needs, and choose the appropriate one.
What are the physical properties of 6-oxo-1 6-dihydropyridine-2-carboxylate?
6-Oxo-1,6-dihydropyridine-2-carboxylate (6-oxo-1,6-dihydropyridine-2-carboxylate) is one of the organic compounds with unique physical properties. Let me tell you in detail.
Looking at its appearance, it is often crystalline or powdery solid, which makes it relatively convenient to store and process. As for the color, it is mostly white to light yellow, with pure color and less variegation.
When it comes to solubility, the compound behaves differently in organic solvents. In common organic solvents such as ethanol and acetone, it has a certain solubility. As a polar organic solvent, ethanol and 6-oxo-1,6-dihydropyridine-2-carboxylate molecules have appropriate interaction forces, such as hydrogen bonds, van der Waals forces, etc., which promote their partial dissolution. The polarity and structural characteristics of acetone also make it have a certain solubility to the compound. However, in water, its solubility is relatively limited, due to the strong polarity of water molecules, the matching degree of force between molecules and the compound is not good, resulting in low solubility.
In terms of melting boiling point, this compound has a specific melting boiling point range. The melting point is the temperature at which a substance changes from a solid state to a liquid state. The melting point of 6-oxo-1,6-dihydropyridine-2-carboxylate is relatively high. This is due to the existence of strong interactions between molecules, such as inter-molecular hydrogen bonds, π-π stacking, etc. These effects make the molecules closely arranged, and high energy is required to destroy the lattice structure and realize the transition from solid to liquid. The boiling point is the temperature at which a liquid changes to a gas. Due to its structural properties and intermolecular forces, the boiling point is also in a certain range, reflecting the energy required to overcome the attractive forces between molecules to convert it from liquid to gas.
In addition, the density of the compound has a fixed value, and the density is the mass of the substance per unit volume. The density of 6-oxo-1,6-dihydropyridine-2-carboxylate depends on its molecular structure and the type and arrangement of constituent atoms.
In summary, the physical properties of 6-oxo-1,6-dihydropyridine-2-carboxylate, such as appearance, solubility, melting point and density, are determined by their own molecular structure and composition. These properties have far-reaching implications for their applications and treatment in many fields such as organic synthesis and drug development.
What are the chemical properties of 6-oxo-1, 6-dihydropyridine-2-carboxylate
6-Oxo-1,6-dihydropyridine-2-carboxylate is a derivative of a class of nitrogen-containing heterocyclic compounds. Its unique chemical properties have attracted much attention in the fields of organic synthesis and medicinal chemistry.
Looking at its structure, the 6-position of the pyridine ring is a carbonyl group, the 1,6-position is a dihydrogen structure, and the 2-position is a carboxylate group. This structure gives it specific chemical activity.
Bearing the brunt, the compound can exhibit electrophilic properties due to its carbonyl content. The carbon of the carbonyl group is positively charged and vulnerable to attack by nucleophiles. Nucleophiles such as alcohols and amines can react with it to generate corresponding acetals, amides and other derivatives. This property has a wide range of uses in the construction of complex organic molecular structures. By designing nucleophiles, specific functional groups can be introduced to expand the complexity of the molecule.
Furthermore, the 1,6-dihydrogen structure is also reactive. The unsaturated carbon-carbon double bond can participate in the addition reaction. In case of suitable electrophilic reagents, such as hydrogen halides, halogens, etc., electrophilic addition can occur, and halogen atoms or other substituents can be introduced into the pyridine ring. The selectivity of this addition reaction is affected by the electron effect of the peripheral substituent and the space effect. If carboxyl and other electron-withdrawing groups exist, the electron cloud density of the double bond decreases, the electrophilic addition reaction activity may change, and the regioselectivity may also be different.
In addition, carboxyl groups can undergo many classical reactions. They can react with bases to form salts, enhancing the water solubility of compounds, which is crucial in the development of pharmaceutical formulations, because it can improve the water solubility or improve the absorption and distribution of drugs in vivo. Carboxyl groups can also be esterified with alcohols under acid catalysis to form ester derivatives. Ester compounds are common in pharmaceutical chemistry, and may change the physicochemical properties of parent compounds, such as lipid solubility, which in turn affects the properties of drug transmembrane transport.
6 - oxo - 1,6 - dihydropyridine - 2 - carboxylate is rich in chemical properties, providing a variety of reaction check points and modification possibilities for organic synthesis and drug development. Compounds with specific biological activities or functions can be prepared by ingeniously designing reaction pathways.