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What is the chemical structure of 3- {4-methyl-5- [ (4-nitrobenzyl) sulfanyl] -4H-1,2,4-triazol-3-yl} pyridine?
This is a problem of chemical structure analysis of organic compounds. 3- {4-methyl-5- [ (4-nitrobenzyl) thioalkyl] -4H-1,2,4-triazole-3-yl} pyridine, named after it, can be analyzed as follows:
Its core structure is a pyridine ring, the 3rd position of the pyridine ring is connected to a complex group. In this complex group, there is a 4H-1,2,4-triazole ring, the 4th position of the triazole ring is connected to a methyl group, and the 5th position is connected to 4-nitrobenzyl through a sulfur atom. Specifically, 4-nitrobenzyl, the benzyl ring 4 of benzyl (benzyl) is obtained by substitution of nitro group.
In this way, the chemical structure of this compound is composed of pyridine ring, 4H-1,2,4-triazole ring and 4-nitrobenzyl group through a specific connection method. The various parts of its structure interact with each other, giving the compound specific physical and chemical properties, which may be of great significance in organic synthesis, pharmaceutical chemistry and other fields.
What are the physical properties of 3- {4-methyl-5- [ (4-nitrobenzyl) sulfanyl] -4H-1,2,4-triazol-3-yl} pyridine?
3 - {4 - methyl - 5 - [ (4 - nitrobenzyl) sulfanyl] -4H - 1,2,4 - triazol - 3 - yl} pyridine is an organic compound. Its physical properties are crucial and are of great significance in scientific research and industrial applications.
Looking at its appearance, this compound is often in solid form, mostly powdered, and its color may be white to light yellow, depending on its purity and preparation process. Its powder is fine in texture and easy to handle and handle.
Melting point is also one of the important physical properties. However, the melting point of this compound is affected by the interaction of various groups in the molecular structure. The structure of methyl, nitrobenzyl sulfide and triazole with pyridine ring makes the intermolecular force complex. The melting point of the compound is measured experimentally in a specific temperature range, which is of great significance for the crystallization and purity characterization of the compound. If the melting point is similar to the theoretical value, it usually means higher purity.
In terms of solubility, the compound varies in different solvents. Because it contains polar pyridine ring and relatively non-polar methyl, nitrobenzyl and other groups, it exhibits good solubility in polar organic solvents such as dimethyl sulfoxide (DMSO), N, N-dimethylformamide (DMF), which is due to the interaction of polar solvents with pyridine ring and the dispersion of other groups. However, the solubility in water is not good, because the non-polar part is large, it is difficult for water molecules to interact effectively with it. In non-polar organic solvents such as n-hexane, the solubility is also poor, because the polar pyridine ring interacts weakly with the non-polar solvent.
The density of this compound is also one of its physical properties. Its density is closely related to the molecular structure, and the type, number and arrangement of atoms in the molecule determine the density. Although the exact density needs to be determined experimentally, it is inferred from the structure that its density is comparable to that of common organic compounds and is within a certain range.
In addition, the stability of this compound is also concerned. The nitrobenzyl sulfide part in the structure can affect its stability under specific conditions, such as high temperature, light or specific chemical environment, or chemical reactions. Therefore, these factors need to be considered when storing and using to ensure the stability of the compound.
What is the synthesis method of 3- {4-methyl-5- [ (4-nitrobenzyl) sulfanyl] -4H-1,2,4-triazol-3-yl} pyridine?
To prepare 3- {4-methyl-5- [ (4-nitrobenzyl) thio] -4H-1,2,4-triazole-3-yl} pyridine, the method is as follows:
Take an appropriate amount of 4-methyl-5-mercapto-4H-1,2,4-triazole-3-amine, place it in a clean reaction vessel, add an appropriate amount of organic solvent, such as N, N-dimethylformamide (DMF), stir to dissolve it evenly. < Br > Take another 4-nitrobenzyl halide, such as 4-nitrobenzyl chloride or 4-nitrobenzyl bromide, and slowly add it to the above solution. At the same time, add an appropriate amount of alkali, such as potassium carbonate, to promote the progress of the reaction. Keep the reaction system at an appropriate temperature, such as 50-80 ° C, and continue to stir for the number of reactions. During this period, closely observe the progress of the reaction, and monitor the degree of reaction by thin layer chromatography (TLC). < Br > After 4-methyl-5- [ (4-nitrobenzyl) thio] -4H-1,2,4-triazole-3-amine is formed, react it with a suitable pyridine derivative. This pyridine derivative needs to have a reactive active group in a suitable position, such as a halogen atom. Also in an organic solvent, a base is added as a catalyst, such as triethylamine, to control the reaction temperature and time to fully react. After the reaction is completed, the product is separated and purified. Most of the organic solvents can be removed by vacuum distillation first, and then further purified by column chromatography. Appropriate eluents, such as the mixed solvent of petroleum ether and ethyl acetate, are selected, and the ratio of the two is adjusted according to the polarity of the product. Finally, pure 3- {4-methyl-5- [ (4-nitrobenzyl) thio] -4H-triazole-3-yl} pyridine can be obtained. The whole process requires strict control of the reaction conditions and attention to the standardization of operation to improve the yield and purity of the product.
What are the application fields of 3- {4-methyl-5- [ (4-nitrobenzyl) sulfanyl] -4H-1,2,4-triazol-3-yl} pyridine?
3 - {4 - methyl - 5 - [ (4 - nitrobenzyl) sulfanyl] -4H - 1,2,4 - triazol - 3 - yl} pyridine is an organic compound that has shown important uses in many fields.
In the context of pharmaceutical research and development, such compounds can be used as lead compounds. Due to its structure, specific pyridine and triazole groups either have unique biological activities or can interact with specific targets in organisms, such as specific enzymes or receptors. After in-depth research and modification, new drugs may be developed to treat diseases such as inflammation and tumors.
In the field of materials science, this compound may be involved in the creation of functional materials. Its special molecular structure may endow the material with unique electrical and optical properties. For example, with its electron cloud distribution and conjugated structure, it can be used to prepare organic optoelectronic materials, applied to Light Emitting Diode, solar cells and other devices, bringing new opportunities for energy and display fields.
In terms of agricultural chemistry, such substances may have potential agricultural value. Or they can be modified and developed into new pesticides, which show inhibitory or killing effects on specific pests or pathogens, and are more selective and environmentally friendly than traditional pesticides, contributing to sustainable agricultural development.
In addition, in organic synthetic chemistry, 3 - {4 - methyl - 5 - [ (4 - nitrobenzyl) sulfanyl] -4H - 1,2,4 - triazol - 3 - yl} pyridine can be used as a key intermediate. With its structural activity check point, through various organic reactions, such as nucleophilic substitution, coupling reactions, etc., it can construct more complex organic molecular structures, open up new paths for organic synthetic chemistry, and promote the development of complex natural product total synthesis and other fields.
What is the market outlook for 3- {4-methyl-5- [ (4-nitrobenzyl) sulfanyl] -4H-1,2,4-triazol-3-yl} pyridine?
3 - {4-methyl-5- [ (4-nitrobenzyl) thio] -4H-1,2,4-triazole-3-yl} pyridine, which is a rather complex organic compound. To consider the current market prospect, it needs to be analyzed from multiple dimensions.
Looking at the field of scientific research, organic compounds are often the key research objects of pharmaceutical chemistry, materials science and other disciplines. If this compound has a unique chemical structure and properties, it may be able to emerge in the development of new drugs and the creation of functional materials. For example, its specific structure may interact with specific targets in organisms, arousing the interest of researchers in the drug screening stage, or laying the foundation for the birth of new therapeutic drugs; in the field of materials science, it may become a potential raw material for the preparation of new photoelectric materials and sensor materials due to its special electronic properties and optical properties, etc., which is a promising application prospect in the field of scientific research and exploration.
Furthermore, from the perspective of industrial production. If this compound can be synthesized on a large scale and cost-effectively, it is very likely to find a place in the chemical industry. It may be used as an intermediate to produce other high-value-added chemicals, and then occupy a place in the fine chemical industry chain. However, large-scale production also faces many challenges, such as the optimization of the synthesis process, the control of production costs, and environmental protection. Only by properly solving such problems can its commercial value be realized in the field of industrial production.
However, the market prospect is also constrained by many factors. The first one is the competitive situation. If there are alternatives with similar structure, similar function and lower cost in the market, the market expansion of this compound will encounter many obstacles. Furthermore, regulations and policies are also key factors. In the field of drugs and chemical products, strict regulations and standards have clear requirements on product quality, safety, and environmental impact. It is necessary to ensure that the compound and its derivatives meet relevant regulations before they can enter the market smoothly. In addition, the dynamic changes in market demand should not be underestimated. It is necessary to closely track industry trends, understand market demand, and adjust product positioning and marketing strategies in a timely manner.
In summary, the market prospect of 3-{ 4-methyl-5- [ (4-nitrobenzyl) thio] -4H-1,2,4-triazole-3-yl} pyridine is full of opportunities and challenges. If we can make precise efforts in scientific research and innovation, production optimization, market expansion, etc., and effectively respond to various challenges, we may be able to gain a place in the market and bloom its unique value.