Chemical Formula | C18H22N4O3S2 |
Molecular Weight | 406.53 g/mol |
Appearance | Solid (usually powder) |
Melting Point | Typically needs experimental determination |
Solubility In Water | Low, due to its non - polar groups |
Solubility In Organic Solvents | Soluble in some organic solvents like DMSO, chloroform |
Pka | No standard value, acidic/basic groups contribute |
Logp | Positive value, indicating lipophilicity |
Crystal Structure | Requires X - ray crystallography to determine |
Stability | Stable under normal storage conditions away from light, heat and oxidizing agents |
What is the chemical structure of ethyl 2- ({[ (4-methyl-4H-1,2,4-triazol-3-yl) sulfanyl] acetyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?
This is a chemical nomenclature. To clarify its chemical structure, it is necessary to analyze its various parts. "Ethyl" is an ethyl group, and the surface molecule contains this group. "2- ((4 - methyl - 4H - 1,2,4 - triazol - 3 - yl) sulfanyl) acetylamino", this long list of parts reveals a structural unit containing a specific substituent. "4 - methyl - 4H - 1,2,4 - triazol - 3 - yl" is 4 - methyl - 4H - 1,2,4 - triazole - 3 - yl, which is attached to the sulfur atom and then bound to the acetyl group, which in turn has an amino group. " 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate "indicates the presence of 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate structure.
In summary, the compound structure consists of ethyl, containing 4 - methyl - 4H - 1,2,4 - triazole - 3 - thioalkyl - acetamide structural units and 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate moiety. Its core structure is 4,5,6,7-tetrahydro-1-benzothiophene, which is connected to the triazole-containing sulfide structural unit through amide bond at position 2, and ethyl carboxylate at position 3. The interaction of different groups in this structure endows the compound with specific chemical properties and potential biological activities.
What are the main uses of ethyl 2- ({[ (4-methyl-4H-1,2,4-triazol-3-yl) sulfanyl] acetyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?
Ethyl2- ((((4-methyl-4H-1,2,4-triazole-3-yl) thio) acetyl) amino) -4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ester, this is an organic compound. Its uses are quite extensive, in the field of medicine, or it has potential medicinal value, or it can be used as a key intermediate in drug synthesis. By modifying and modifying its chemical structure, new specific drugs can be developed to deal with various diseases such as inflammation and tumors. In the field of agriculture, it can be used as a lead compound in the creation of pesticides, and after rational design and optimization, it can be used to produce efficient and low-toxicity insecticides and fungicides to protect crops from diseases and insect pests and ensure a bumper agricultural harvest. In the field of materials science, or its special chemical and physical properties are studied and utilized to contribute to the research and development of new functional materials, such as for the synthesis of materials with specific optical, electrical and magnetic properties, to meet the needs of high-tech industries such as electronics and optics. This compound is also an important research object in the field of organic synthetic chemistry. By exploring the chemical reactions and mechanisms involved in it, chemists may be able to develop novel synthesis methods and strategies, injecting new vitality into the development of organic synthetic chemistry, promoting the continuous progress of chemistry, and playing a greater role in many fields.
What is the synthesis of ethyl 2- ({[ (4-methyl-4H-1,2,4-triazol-3-yl) sulfanyl] acetyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?
The method of preparing ethyl 2- ({[ (4-methyl-4H-1,2,4-triazol-3-yl) sulfanyl] acetyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate can be carried out as follows.
First take 4-methyl-4H-1,2,4-triazol-3-thiol and combine it with a suitable acetylating agent, such as acetyl chloride or acetic anhydride, in a suitable solvent, such as dichloromethane or tetrahydrofuran, under the catalysis of a base (such as triethylamine or pyridine). This step aims to acetylate the sulfur atom of 4-methyl-4H-1,2,4-triazole-3-mercaptan to obtain [ (4-methyl-4H-1,2,4-triazole-3-yl) thio] acetylation product.
Take 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ethyl ester and make it with the aforementioned [ (4-methyl-4H-1,2,4-triazole-3-yl) thio] acetylation product, in the presence of a condensing agent (such as 1,3-dicyclohexylcarbodiimide, DCC) and a catalyst (such as 4-dimethylaminopyridine, DMAP), in a solvent (such as dichloromethane or N, N-dimethylformamide, DMF). This reaction can connect the two with an amide bond to form ethyl 2- ({[ (4-methyl-4H-1,2,4-triazole-3-yl) thio] acetyl} amino) -4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester.
After the reaction is completed, the product is purified by conventional separation and purification methods, such as column chromatography or recrystallization, to remove unreacted raw materials, by-products and impurities, so as to obtain a pure target product ethyl 2- ({[ (4-methyl-4H-1,2,4-triazole-3-yl) thio] acetyl} amino) -4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ethyl ester. The reaction conditions of each step, such as temperature, time, material ratio, etc., need to be carefully optimized to improve the reaction yield and selectivity.
What are the physicochemical properties of ethyl 2- ({[ (4-methyl-4H-1,2,4-triazol-3-yl) sulfanyl] acetyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?
Ethyl 2- ({[ (4-methyl-4H-1,2,4-triazol-3-yl) sulfanyl] acetyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate, this is an organic compound. Its physical and chemical properties are crucial, and it is related to the performance of this compound in different scenes.
Looking at its appearance, it often shows a specific state, or is a crystalline solid, with a regular lattice arrangement, like ancient bricks and stones stacked tightly, giving it a unique geometric shape and texture. Its color may be colorless to slightly yellow, just like early morning mist, elegant and unobtrusive.
When it comes to the melting point, this compound gradually melts from a solid state to a liquid state at a specific temperature, just like ice and snow melting in the warm sun. Melting point is an important indicator for identifying the purity and characteristics of the compound. Accurate determination can distinguish its quality. Just like the ancients measured gold by scale, it must be investigated.
In terms of solubility, it varies in different solvents. In polar solvents, such as water, it may have a certain solubility, just like fish entering water. Although it is not completely fused, it also has some affinity. In organic solvents, such as ethanol and acetone, the solubility is better, such as ink in water, diffusion is seamless. This property affects its application in chemical reactions and preparation, just as the ancients used it according to the material characteristics, and each tried its best.
In terms of stability, at room temperature and pressure without special chemical environment interference, the compound is relatively stable and can maintain its original state, like a general who sits firmly in the army's tent, without chaos. In case of extreme conditions such as high temperature, strong acid, and strong alkali, its structure may change, such as an earthquake in a building, and its foundation is shaken.
Spectral properties are also key. Infrared spectroscopy can reveal the vibration frequency of chemical bonds in its molecules, just like the sound of music and music, and each bond plays a unique sound, according to which the molecular structure characteristics can be identified. Nuclear magnetic resonance spectroscopy can reveal the chemical environment of hydrogen, carbon and other atoms in a molecule, which seems to draw an accurate map for atoms and help researchers understand the mysteries of their microscopic world.
The physical and chemical properties of this compound are of great significance in the fields of organic synthesis, drug development, etc., like the key to unlocking the scientific treasure house, leading researchers to explore the unknown.
What is the future of ethyl 2- ({[ (4-methyl-4H-1,2,4-triazol-3-yl) sulfanyl] acetyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate in the market?
Ethyl 2- ({[ (4-methyl-4H-1,2,4-triazol-3-yl) sulfanyl] acetyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate, this is an organic compound. Looking at the fields of medicine and chemical industry in today's world, its application prospects are quite promising.
In the field of medicine, such compounds containing specific heterocyclic structures often have unique biological activities. Or they can be further studied to find their interaction with specific targets in organisms, and it is expected to be developed into new drugs. Such as antibacterial drugs, the metabolic pathway and structure of bacteria are complex and changeable, and the special structure of this compound may interfere with key metabolic links of bacteria and achieve antibacterial effect. It can also be used as an antiviral agent to block the virus from invading host cells, replicating and other steps by its structural characteristics, adding a new way for antiviral treatment. Furthermore, in the development of anti-tumor drugs, it can interact with specific proteins or signaling pathways of tumor cells to inhibit tumor cell proliferation and induce apoptosis.
In the chemical industry, it can also be used. In materials science, it may be used as a functional additive. Added to polymer materials, with its unique chemical structure, improve material properties. For example, enhance material stability, make it more resistant to aging and corrosion in different environments. Or optimize material processing performance, reduce processing difficulty, and improve production efficiency. In the field of coatings, special properties may be given to coatings, such as improving coating adhesion, wear resistance, and prolonging coating service life.
Although this compound has broad application prospects, to turn its potential into reality, researchers need to conduct rigorous experiments and in-depth studies to clarify its mechanism of action and optimize its performance, so that it can be used in various fields and benefit human well-being.