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What is the chemical structure of 5-Isoquinolinecarboxylic acid?
5-Isoquinoline carboxylic acid, in its molecular structure, isoquinoline is the parent nucleus of a nitrogen-containing heterocyclic ring. The parent nucleus of isoquinoline is formed by fusing a benzene ring and a pyridine ring in a rigid planar structure. On this basis, a carboxyl functional group is connected at the 5-position. The carboxyl group is composed of a carbonyl group (\ (C = O\)) and a hydroxyl group (\ (-OH\)). With its unique electronic effect and steric hindrance, it has a significant impact on the physical and chemical properties of the whole molecule. From the perspective of spatial configuration, the existence of carboxyl groups makes the molecule no longer completely symmetric, thus affecting its crystal accumulation and orientation in solution. As far as the electron cloud distribution is concerned, the electron-absorbing property of carboxyl groups can change the electron cloud density distribution on the quinoline ring, resulting in different reactivity at different positions on the ring. Such structural characteristics make 5-isoquinoline carboxylic acids show unique application value in many fields such as organic synthesis and medicinal chemistry.
What are the main uses of 5-Isoquinolinecarboxylic acid?
5-Isoquinoline carboxylic acid, an organic compound, has important uses in many fields.
In the field of medicinal chemistry, its use is quite critical. It can be used as an intermediate for the synthesis of drugs. Many biologically active drug molecules are often constructed by their unique structures. By chemically modifying and derivatizing them, a variety of potential lead compounds can be obtained. For example, in the development of some anti-cancer drugs, 5-isoquinoline carboxylic acids can be used as starting materials. After multi-step reactions, complex molecular structures with specific pharmacological activities can be constructed, which act on specific targets of cancer cells, interfere with their growth and proliferation, and then achieve anti-cancer effects. < Br >
In the field of materials science, it also has outstanding performance. Can participate in the preparation of functional materials. For example, coordinate with metal ions to form metal-organic framework materials (MOFs). Such materials have high specific surface area and regular pore structure, which play a significant role in gas adsorption and separation. It can efficiently adsorb specific gas molecules, such as carbon dioxide, which is of great significance in environmental protection and resource recovery. It can also be used as a building block for fluorescent materials, giving the material unique optical properties, and may have applications in optical sensors.
In the field of organic synthetic chemistry, 5-isoquinoline carboxylic acid is a key structural unit, which can participate in various organic reactions and be used to construct more complex organic compounds. Through esterification, amidation and other reactions, different functional groups can be connected, expanding the structural diversity of molecules, providing organic synthesis chemists with a wealth of strategies and approaches to prepare organic molecules with specific functions and structures.
What are the physical properties of 5-Isoquinolinecarboxylic acid?
5-Isoquinoline carboxylic acid is an organic compound. Its physical properties are quite characteristic.
Looking at its morphology, under room temperature and pressure, it is mostly in a solid state. Due to the strong force between molecules, it aggregates tightly. As for the color, it is usually white to light yellow powder. This color may vary slightly due to the mixing of impurities or differences in crystal form.
When it comes to the melting point, it is about 220-225 ° C. When the temperature reaches this range, the molecules obtain enough energy and the lattice structure disintegrates, so they change from solid to liquid.
In terms of solubility, the solubility in water is relatively low, and the interaction with water molecules such as hydrogen bonds is weak due to its limited molecular polarity. However, in some organic solvents, such as dimethyl sulfoxide (DMSO) and N, N-dimethylformamide (DMF), it has good solubility, and it can form a suitable interaction with the organic solvent molecules, so that it can be uniformly dispersed.
Its density is about 1.36 g/cm ³, indicating the mass of the substance contained in the unit volume, and this value reflects the compactness of its molecular accumulation.
The physical properties of 5-isoquinoline carboxylic acid play a key role in its application in chemical synthesis, drug development and many other fields. Understanding its properties can better control the relevant reaction process and application effect.
What are the synthesis methods of 5-Isoquinolinecarboxylic acid?
The synthesis of 5-isoquinoline carboxylic acid is an important topic in the field of organic synthesis. The synthesis method has been explored by many experts in ancient and modern times, and each has its own subtlety.
In the past, some natural products may be used as starting materials and obtained through multi-step transformation. For example, looking for a natural product rich in specific structures, it is gradually modified by hydrolysis, oxidation, etc., and finally 5-isoquinoline carboxylic acid. However, this route is often restricted by the acquisition of natural raw materials, and the steps are cumbersome, and the yield is not ideal.
Today's synthesis relies more on chemical synthesis methods. First, benzene and pyridine derivatives are used as starting materials, and the cyclization reaction is used to construct the isoquinoline skeleton. First carefully select the benzene and pyridine derivatives with suitable substituents, and under suitable reaction conditions, such as in a specific catalyst, temperature and solvent environment, the two will undergo cyclization and condensation. This cyclization reaction needs to be precisely regulated. Due to the slight deviation of the reaction conditions, it is easy to cause a cluster of side reactions, which affects the purity and yield of the product. Second, the coupling reaction catalyzed by transition metals can be used. Select suitable halogenated aromatics and carboxyl-containing pyridine derivatives, and under the action of transition metals (such as palladium, nickel, etc.) catalysts, realize the coupling of carbon-carbon bonds, and then synthesize the target product. Among these, the choice and dosage of catalysts and the design of ligands are crucial, which are related to the activity and selectivity of the reaction. < Br >
is also synthesized by the strategy of heterocyclic construction. First build a simple heterocyclic ring, and then through the functionalization reaction, gradually introduce the carboxyl group to the 5-position of isoquinoline. This process requires familiarity with heterocyclic chemistry in order to skillfully design the reaction path and obtain it efficiently. In short, the synthesis methods of 5-isoquinoline carboxylic acids are diverse, with advantages and disadvantages. Fang should choose according to actual needs and weigh them.
What is the price range of 5-Isoquinolinecarboxylic acid in the market?
5-Isoquinoline carboxylic acid is in the market, and its price range is difficult to determine. The price of this compound often varies due to various factors.
First, the purity of the quality, the price may be higher. If it is a high-purity 5-isoquinoline carboxylic acid, used in scientific research and other areas that require strict purity, it must be more expensive than those with ordinary purity. Second, the amount of purchase is also the key. If you buy in large quantities, merchants may choose the best policy because of the large quantity, and the price is lower than that of a small number of buyers. Third, the supply and demand of the market also affect its price. If there are many people who want it, and the supply is small, the price may rise; conversely, if the supply exceeds the demand, the price may fall.
In addition, the price varies between manufacturers and brands. Well-known manufacturers may have high prices due to fine craftsmanship and strict quality control. And the state of market competition also makes prices fluctuate.
According to today's market conditions, the price per gram is low or tens of yuan, and high or hundreds of yuan. However, this is only an approximate number. The actual price needs to be consulted with chemical suppliers in detail, and it can only be determined according to real-time conditions.