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What is the chemical structure of 2-methyl-8- {[4-methyl-5- (methylsulfanyl) -4H-1,2,4-triazol-3-yl] methoxy} quinoline
This is the chemical structure analysis of 2-methyl-8- {[4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl] methoxy} quinoline.
Looking at its name, the structure of this compound can be analyzed step by step. "Quinoline" is a kind of nitrogen-containing heterocyclic parent nuclear structure, which is like the cornerstone of a pavilion. Quinoline is fused from a benzene ring and a pyridine ring, and has unique chemical properties and spatial configuration.
"2-methyl" means adding a methyl group to the No. 2 position of the quinoline parent nucleus, as if adding a component in a specific orientation of the pavilion. Methyl is a common group in organic chemistry, and its introduction can change the physical and chemical properties of the parent compound, such as affecting the polarity of molecules, steric resistance, etc.
"8 - {[4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl] methoxy}" This part is more complex and delicate. " 8 - "indicates that the long chain substituent is attached to the 8th position of the quinoline parent nucleus. The long chain starts with methoxy group, just like a rope connected to the 8th position of the quinoline pavilion. The methoxy group is followed by" [4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl] ", where" 4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl "is a nitrogen-containing heterocyclic structure. The triazole ring is a ternary nitrogen-containing heterocycle with high stability and unique electron cloud distribution. The methyl group at position 4 and the methyl thio group at position 5 are embedded on the triazole ring like accessories, further enriching the characteristics of this part of the structure.
Overall, the structure of this compound is complex and delicate, and its parts are connected and influenced each other, giving it unique chemical properties and potential application value.
What are the physical properties of 2-methyl-8- {[4-methyl-5- (methylsulfanyl) -4H-1,2,4-triazol-3-yl] methoxy} quinoline
2-Methyl-8- {[4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl] methoxy} quinoline is an organic compound. Looking at its physical properties, this compound is mostly solid at room temperature and pressure, but the exact phase state may vary depending on purity and crystallization conditions.
Regarding the melting point, because the structure contains rigid structural units such as benzene ring and triazole ring, the intermolecular force is strong, so the melting point is estimated to be relatively high. However, the specific value needs to be determined accurately by experiment, and the position and properties of the substituent have a great influence on the melting point.
In terms of solubility, the compound contains hydrophobic groups such as methyl and methylthio, and the solubility in water may be very small. However, it also has parts with certain polarity such as nitrogen heterocycles and methoxy groups, and may have certain solubility in some organic solvents such as dichloromethane, chloroform, N, N-dimethylformamide (DMF). The non-polar parts of dichloromethane and chloroform can interact with hydrophobic groups, while the polarity of DMF can interact with polar groups, which is conducive to the dissolution of the compound.
In appearance, the pure substance may be white to light yellow crystalline powder, but if it contains impurities, the color and appearance may change.
The physical properties of this compound are of great significance in the fields of organic synthesis and drug development. In organic synthesis, its melting point and solubility affect the choice of reaction conditions and the separation and purification of products; in drug development, physical properties are closely related to drug absorption, distribution, metabolism, and excretion, and are related to drug efficacy and safety.
What are the application fields of 2-methyl-8- {[4-methyl-5- (methylsulfanyl) -4H-1,2,4-triazol-3-yl] methoxy} quinoline
2-Methyl-8- {[4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl] methoxy} quinoline, which is an organic compound. Looking at its structure, it may be useful in the fields of medicinal chemistry, pesticide chemistry, etc.
In medicinal chemistry, quinoline and its derivatives often have diverse biological activities. The existence of quinoline rings may make it interact with specific targets in organisms. For example, many drugs containing quinoline structures can exhibit antibacterial, anti-inflammatory, anti-tumor and other effects. The triazole group attached to the side chain of this compound also often has biological activity, which can enhance the ability to bind to targets, or affect the metabolic kinetics properties of pharmaceuticals. Therefore, it is speculated that it may be modified and developed into new antibacterial and antitumor drugs.
In the field of pesticide chemistry, compounds containing quinoline and triazole structures may have insecticidal and bactericidal activities. The quinoline structure can help it bind to specific receptors in insects and fungi and interfere with their physiological processes. The introduction of methionyl may change its lipophilicity and electron cloud distribution to enhance its activity against target organisms. Therefore, it may be used to develop new pesticides to control crop diseases and pests and ensure crop harvest.
In summary, 2-methyl-8- {[4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl] methoxy} quinoline may have potential application value in the field of pharmaceutical and pesticide research and development, but it still needs experimental verification and in-depth research.
What is the synthesis method of 2-methyl-8- {[4-methyl-5- (methylsulfanyl) -4H-1,2,4-triazol-3-yl] methoxy} quinoline
To prepare 2-methyl-8- {[4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl] methoxy} quinoline, the method is as follows:
First take the appropriate quinoline derivative, prepare the corresponding reagent and solvent in a suitable reaction vessel. Using 2-methylquinoline as the starting material, first activate its 8-position to make it easy to introduce subsequent substituents. It is often possible to introduce the 8-position of 2-methylquinoline into the halogen atom by a halogenation reaction, such as a halogenation reagent (such as N-bromosuccinimide, etc.), in the presence of light or an initiator, to generate 8-halo-2-methylquinoline.
sub-production of 4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-ylmethanol derivatives. Take 4-methyl-5- (methylthio) -4H-1,2,4-triazole, formaldehyde or its equivalent reagent, under the action of a basic catalyst (such as potassium carbonate, etc.), in a suitable organic solvent (such as N, N-dimethylformamide, etc.), a nucleophilic substitution reaction occurs, so that the 3-position of the triazole is introduced into the hydroxymethyl group to obtain 4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-ylmethanol. Then the above 8-halo-2-methylquinoline was condensed with 4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-ylmethanol. Using potassium carbonate or sodium hydride as a base, in an organic solvent (such as acetonitrile, etc.), heating and stirring to promote the nucleophilic substitution reaction between the two, the halogen atom and the hydroxyl group of the hydroxymethyl group dehalide to produce the target product 2-methyl-8- {[4-methyl-5- (methylthio) -4H-1,2,4-triazole-3-yl] methoxy} quinoline. After the reaction, the product is extracted, washed, dried, column chromatography and other conventional post-treatment methods to obtain a pure product. The whole process requires attention to the precise control of the reaction conditions, the weighing of the amount of reagents, and the operation should follow the laboratory safety procedures to ensure the smooth reaction and the purity and yield of the product.
What is the market outlook for 2-methyl-8- {[4-methyl-5- (methylsulfanyl) -4H-1,2,4-triazol-3-yl] methoxy} quinoline
2-Methyl-8- {[4-methyl-5- (methylsulfanyl) -4H-1,2,4-triazol-3-yl] methoxy} quinoline is an organic compound. Looking at its market prospects requires multi-faceted examination.
From the perspective of scientific research, organic compounds are often key research objects in the fields of pharmaceutical chemistry and materials science. This compound has a unique structure or has specific biological activities and material properties. In the field of pharmaceutical chemistry, it may become a potential lead compound, which can be modified and optimized to be developed as a drug for the treatment of specific diseases. Many new drugs are currently derived from the study of similar organic compounds. If their biological activities and pharmacological mechanisms are further studied, new drug development directions may be developed. Therefore, in the level of scientific research and exploration, its prospects are bright.
When it comes to industrial applications, if the compound is proven to have practical value through research, such as specific catalytic properties or material properties, it may be possible to start industrial production. However, industrial production needs to consider many factors, such as the difficulty of obtaining raw materials, the complexity of the synthesis process, and the level of production costs. If raw materials are easily available, the synthesis process can be optimized to be efficient and economical, and it may have a place in the industrial industry and be widely used in industrial fields such as material manufacturing.
But there are also challenges. The market competition may be quite intense, and similar structural and functional compounds may already exist in the market. To stand out, it is necessary to demonstrate unique advantages, such as better performance and lower cost. And compound safety and Environmental Impact Assessment is also indispensable. If it cannot meet relevant regulations and environmental protection requirements, its marketing activities will be severely limited.
Overall, the market prospect of 2-methyl-8- {[4-methyl-5- (methylsulfanyl) -4H-1,2,4-triazol-3-yl] methoxy} quinoline has both opportunities and challenges. If you can tap unique value in scientific research, overcome industrial production problems, and meet competition and regulatory requirements, you may be able to find development space in the market.