4-Hydroxy-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester

Methyl 4-hydroxy-7-phenoxy-3-isoquinoline carboxylate, which is one of the organic compounds. Its chemical structure is as follows:
- ** Isoquinoline parent nucleus **: The compound uses isoquinoline as the core structure. Isoquinoline is a nitrogen-containing heterocyclic aromatic hydrocarbon, which is formed by fusing a benzene ring with a pyridine ring. This structure endows the compound with unique physical and chemical properties, which are common in many bioactive molecules and drugs.
- ** Substituent **:
- ** 4 -hydroxy **: In the fourth position of the isoquinoline ring, there is a hydroxyl group (-OH). Hydroxyl groups are polar and can participate in the formation of hydrogen bonds, which has a great impact on the solubility, acidity, alkalinity and biological activity of compounds. It can enhance the interaction between molecules and biological macromolecules (such as proteins and nucleic acids), and then affect their pharmacological activity.
- ** 7 -phenoxy **: The phenoxy group (-O -phenyl) attached to the 7-position phenoxy group is a hydrophobic group, which increases the lipid solubility of the molecule. This not only affects the solubility of the compound, but also may affect its transmembrane transport and binding ability to hydrophobic targets in vivo. Methyl
- ** 3 -carboxylate **: isoquinoline ring 3-linked carboxylic acid methyl ester (-COOCH 🥰), this ester group also has a significant impact on the properties of the compound. The presence of ester groups changes the electron cloud distribution of molecules, and under certain conditions, hydrolysis can occur to generate corresponding carboxylic acids, which is of great significance in drug metabolism and biological activity regulation.
In summary, the chemical structure of methyl 4-hydroxy-7-phenoxy-3-isoquinoline carboxylate, through the synergistic effect between the isoquinoline parent nucleus and each substituent, endows the compounds with rich and diverse physical and chemical properties and potential biological activities, which is of great research value in the fields of organic synthesis and drug development.

Methyl 4-hydroxy-7-phenoxy-3-isoquinoline carboxylate has a wide range of uses. In the development of medicine, it can be used as a key raw material for traditional Chinese medicine. Through subtle chemical modifications and reactions, it can create novel drugs for specific diseases. For example, in the field of anti-tumor drug development, scientists are committed to exploring the relationship between its molecular structure and biological activity, hoping to develop anti-cancer drugs with better efficacy and less side effects.
In the field of organic synthesis, it is also a crucial intermediate. Chemists use their unique chemical properties to construct more complex and diverse organic compound structures. With various organic reactions, such as nucleophilic substitution, electrophilic addition, etc., it can be converted into organic materials with unique functions and properties, which are used in many fields such as materials science.
In addition, at the level of basic research in pharmaceutical chemistry, methyl 4-hydroxy-7-phenoxy-3-isoquinoline carboxylate also plays a pivotal role. By conducting in-depth research on it, researchers can clarify its metabolic pathways, action targets and other key information in organisms, laying a solid theoretical foundation for the rational design and optimization of subsequent drugs.

To prepare 4-hydroxy-7-phenoxy-3-isoquinoline carboxylic acid methyl ester, the method is as follows:
First, the required raw materials and reagents need to be prepared, such as isoquinoline derivatives with corresponding substituents, phenolic compounds and suitable esterification reagents. Generally, the starting material isoquinoline derivatives should have modifiable groups for subsequent introduction of hydroxyl, phenoxy and carboxyl methyl ester groups.
Introduction of hydroxyl groups. Appropriate reaction conditions can be selected. If the raw material has a group that can be replaced by nucleophiles, it can react with a reagent containing hydroxyl groups in a suitable solvent and base catalysis. The choice of base is very critical, such as potassium carbonate, sodium carbonate, etc., can promote the smooth progress of nucleophilic substitution reaction, so that the hydroxyl group is successfully connected to the designated position of isoquinoline ring.
The second time is the introduction of phenoxy. Ullman reaction or similar aromatization reactions can be used. Phenolic compounds react with isoquinoline intermediates containing halogen atoms. In the presence of copper catalysts and ligands, in appropriate solvents and heating conditions, phenoxy negative ions nucleophilically attack halogenated isoquinoline to achieve the connection of phenoxy and isoquinoline rings. This process requires strict control of reaction temperature and time to ensure the selectivity and yield of the reaction.
As for the formation of carboxyl methyl ester groups, carboxyl groups can be formed on isoquinoline derivatives first, and then methanol is used as an esterification reagent. Under the action of concentrated sulfuric acid and other catalysts, esterification occurs to obtain the carboxyl methyl ester structure of the target product. Or in the early stage of the reaction sequence, the raw materials containing carboxyl methyl ester precursors are directly used to construct isoquinoline rings through a series of reactions and other substituents are introduced.
During the reaction process, each step needs to be closely monitored, and the reaction process is often tracked by thin-layer chromatography (TLC) to determine whether the reaction is complete. After the reaction is completed, it needs to be separated and purified by column chromatography, using silica gel as the stationary phase, selecting a suitable eluent, and separating the target product from the reaction mixture to obtain a pure 4-hydroxy-7-phenoxy-3-isoquinoline carboxylic acid methyl ester.

4-Hydroxy-7-phenoxy-3-isoquinoline carboxylic acid methyl ester, this is an organic compound. Looking at its structure, it is derived from the isoquinoline parent nucleus, which is connected with hydroxyl groups, phenoxy groups, carboxyl methyl esters and other groups. These structures endow it with unique physical and chemical properties.
First of all, the solubility, because the molecule contains polar hydroxyl and ester groups, in polar solvents, such as methanol, ethanol, dimethyl sulfoxide (DMSO), should have a certain solubility. However, the non-polar part of the phenoxy and isoquinoline parent nucleus makes it limited in non-polar solvents, such as n-hexane and toluene. In terms of the melting point of
, the molecules of the compound can interact with hydrogen bonds and van der Waals forces to form a regular arrangement, resulting in a higher melting point. However, the exact value still needs to be determined experimentally and accurately.
In terms of stability, the hydroxyl group has certain reactivity, and the structure changes in the environment of strong acid or strong base, or due to protonation and deprotonation. The ester group can also undergo hydrolysis reaction catalyzed by acid and base. High temperature, light and other conditions, or trigger reactions such as intramolecular rearrangement and oxidation, affect its stability.
Spectral properties are worth exploring. In infrared spectroscopy, the hydroxyl group will show a wide absorption peak at 3200-3600 cm < unk >, the C = O stretching vibration of the ester group has a strong absorption peak at 1700-1750 cm < unk >, and the benzene ring and isoquinoline parent nuclei also have their own characteristic absorption peaks, which can be used for structure identification. In nuclear magnetic resonance spectroscopy, hydrogen and carbon atoms in different chemical environments will give specific chemical shift signals, which can help to analyze the molecular structure.
The physical and chemical properties of this compound lay an important foundation for its application in organic synthesis, medicinal chemistry and other fields.

I look at your inquiry, but it is 4-hydroxy-7-phenoxy-3-isoquinoline carboxylic acid methyl ester in the market price range. However, the price of such fine chemical substances varies due to many reasons, and it is difficult to determine the exact number.
Its price may vary due to purity. If the purity is extremely high and almost flawless, it is suitable for high-end scientific research, pharmaceutical research and development and other precision fields, and its price must be high. On the contrary, the purity is slightly inferior, only for general experimental exploration, and the price may be slightly lower.
Furthermore, the trend of supply and demand also affects its price. If the demand for this product in current scientific research and industrial production is thirsty, and the supply is limited, the price will rise. If the supply exceeds the demand, the price may be reduced by promotion.
In addition, the difficulty of production and the price of raw materials also affect. If the synthesis method is complicated, rare raw materials are required, and the cost is high, the price will be high.
As for the market price range, it is difficult to state because there is no exact market. However, you can consult the chemical raw material trading platform and chemical reagent supplier for details, or you can get a more accurate price. Or communicate with industry insiders, who may know the approximate price range due to experience.