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What is the chemical structure of (S) -1, 2, 3, 4, 5, 6, 7, 8 - octahydro - 1 - [ (4 - methoxyphenyl) methyl] isoquinoline?
(S) - 1, 2, 3, 4, 5, 6, 7, 8 - octahydro - 1 - [ (4 - methoxyphenyl) methyl] isoquinoline, which is an organic compound. According to its name, its structure can be gradually analyzed. "Octahydro" means that the double bond of the isoquinoline parent nucleus is added by a hydrogen atom, and the originally unsaturated isoquinoline structure is converted into a more saturated octahydro isoquinoline. "1 - [ (4 - methoxyphenyl) methyl]", which indicates that at position 1 of octahydro isoquinoline, there is a substituent, which is formed by connecting a 4 - methoxyphenyl group to a methylene group. In the 4-methoxyphenyl group, the methoxy group is connected to the 4th position of the benzene ring, and the phenyl group is connected to the carbon of the 1st position of the octahydro isoquinoline by methylene. In this compound structure, after the hydrogenation of isoquinoline, the fused ring system formed by the six-membered ring and the five-membered ring becomes more stable. The introduction of methoxyphenyl groups adds specific electronic and spatial effects to the molecule. The electron characteristics of methoxy groups may affect the reactivity and physical properties of molecules. In the fields of pharmaceutical chemistry and organic synthesis chemistry, compounds with such structures may have unique biological activities and reactive properties. They can be used as lead compounds and can be modified to search for better bioactive molecules.
What are the physical properties of (S) -1, 2, 3, 4, 5, 6, 7, 8 - octahydro - 1 - [ (4 - methoxyphenyl) methyl] isoquinoline?
(S) - 1, 2, 3, 4, 5, 6, 7, 8 - octahydro - 1 - [ (4 - methoxyphenyl) methyl] isoquinoline, which is an organic compound. Its physical properties are as follows:
Looking at its morphology, it is usually a white to light yellow solid or crystal. This shape varies depending on preparation and purity. It is quite stable at room temperature and pressure. In case of hot topic, open flame or strong oxidant, it is easy to react and potentially dangerous.
In terms of solubility, this compound has good solubility in organic solvents such as chloroform, dichloromethane, and ethanol. Due to the similar miscibility, its structure is adapted to the forces between organic solvent molecules. However, in water, the solubility is not good, because its molecular structure is dominated by hydrophobic groups, and the polarity difference with water is large.
In terms of melting point, it is about 60-65 ° C, which is of great significance for the identification and purity judgment of compounds. For samples with different purity, the melting point may be offset. If the purity is high, the melting point is close to the theoretical value. If the purity is low, the melting point will decrease and the melting range will be widened.
The boiling point is about 350-360 ° C. The higher boiling point is due to the intermolecular forces, such as van der Waals force and hydrogen bonding, which make the molecule need more energy to break free and change from liquid to gaseous state.
This compound has a certain vapor pressure, which is very low at room temperature and increases with the increase of temperature. Vapor pressure is related to its diffusion in the air. If the vapor pressure is high, it is more volatile into the air.
Its density is about 1.05 - 1.10 g/cm ³, which is slightly heavier than water. The sedimentation characteristics in liquid mixtures are related to the density.
What is the synthesis method of (S) -1, 2, 3, 4, 5, 6, 7, 8 - octahydro - 1 - [ (4 - methoxyphenyl) methyl] isoquinoline?
To prepare (S) -1,2,3,4,5,6,7,8-octahydro-1- [ (4-methoxyphenyl) methyl] isoquinoline, the method is as follows:
First take the appropriate starting material, methoxybenzene and suitable halogenated alkanes, under the catalysis of base, alkylation reaction, 4-methoxytoluene can be obtained. Oxidation with an appropriate oxidant converts methyl to carboxyl to obtain 4-methoxybenzoic acid.
In addition, with a suitable nitrogen-containing raw material, the isoquinoline skeleton can be constructed by multi-step reaction. The phenethylamine compound can be condensed with aldehyde under the catalysis of acid, and then cyclized to form the isoquinoline structure. This process requires attention to the control of reaction conditions, such as temperature, pH, etc., to prevent side reactions from occurring.
Subsequently, the isoquinoline ring is hydrogenated to obtain the octahydro isoquinoline derivative. Select a suitable hydrogenation catalyst, such as palladium carbon, and react in a hydrogen atmosphere to reduce the double bonds in the isoquinoline ring.
The previously obtained 4-methoxybenzoic acid is converted into the corresponding acyl chloride, and then acylated with the octahydro isoquinoline derivative under alkali catalysis, and an acyl group containing methoxyphenyl is introduced. Finally, through a reduction reaction, such as the use of reducing agents such as lithium aluminum hydride, the acyl group is reduced to methylene to obtain (S) -1,2,3,4,5,6,7,8-octahydro-1- [ (4-methoxyphenyl) methyl] isoquinoline. Throughout the synthesis process, the products of each step of the reaction need to be separated and purified to ensure that the reaction proceeds in the desired direction and improve the yield and purity of the target product.
What are the application fields of (S) -1, 2, 3, 4, 5, 6, 7, 8 - octahydro - 1 - [ (4 - methoxyphenyl) methyl] isoquinoline?
(S) -1,2,3,4,5,6,7,8-octahydro-1- [ (4-methoxyphenyl) methyl] isoquinoline, this compound has applications in medicine, materials and other fields.
In the field of medicine, it may be a potential pharmaceutically active ingredient. Coin isoquinoline compounds often have a variety of biological activities, such as analgesic, anti-inflammatory, anti-tumor, etc. The specific structure of this compound, or its unique pharmacological activity, can bind to specific targets in organisms, affect physiological processes, such as regulating the release of neurotransmitters, inhibiting the proliferation of tumor cells, etc., and provide opportunities for the development of new drugs.
In the field of materials, because of its special molecular structure, it may be used to prepare functional materials. For example, in organic photoelectric materials, or by virtue of their electronic properties, the photoelectric properties of materials can be improved, and they can be used to manufacture Light Emitting Diodes, solar cells and other devices to improve their efficiency and stability.
Or in the field of chemical synthesis, it can be used as a key intermediate. Through various chemical reactions, more compounds with complex structures and specific functions can be derived, enriching the "treasure house" of organic synthetic chemistry and promoting the development of the chemical industry.
In summary, (S) -1,2,3,4,5,6,7,8-octahydro-1- [ (4-methoxyphenyl) methyl] isoquinoline has potential application value in many fields, and needs to be further studied to explore its more possibilities.
What is the market outlook for (S) -1, 2, 3, 4, 5, 6, 7, 8 - octahydro - 1 - [ (4 - methoxyphenyl) methyl] isoquinoline?
(S) -1, 2, 3, 4, 5, 6, 7, 8-octahydro-1 - [ (4-methoxyphenyl) methyl] isoquinoline, this substance is promising in the field of medicine and chemical industry.
Looking at the current market, many scientific research institutions and pharmaceutical companies are engaged in the research and development of drugs containing this substance. Because of its unique chemical structure, or diverse biological activities, such as potential anti-tumor and neuroprotective effects. Therefore, the exploration of its pharmacological properties and mechanism of action has attracted many scientific research forces, and the research and development heat is high.
In terms of market supply, some professional chemical companies have been able to achieve their customized synthesis. However, due to the complex preparation process and high technical barriers, the mass production scale is limited, and the market supply is still difficult to fully meet the demand.
Looking at the demand side, with the rapid development of the biomedical field, there has been a surge in R & D requests for innovative drugs. As a potential drug lead compound, this substance has received extensive attention from drug R & D companies, and demand is on the rise.
Although the current (S) -1,2,3,4,5,6,7,8-octahydro-1- [ (4-methoxyphenyl) methyl] isoquinoline market is still in the development stage, with in-depth research and technological breakthroughs, it is expected to emerge in the field of new drug creation. The future market prospect is broad, and it is likely to become a new growth point in the pharmaceutical and chemical industry.