What is the chemical structure of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate

This is the name of the organic compound, and its chemical structure can be deduced according to this name. Its name is "ethyl 2- [ (1, 3-benzodioxol-5-ylcarbonyl) amino] -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate", which can be separated and separated.

"ethyl" is an alkyl group containing two carbon atoms, and its structure is -CH ² CH. " 2- [ (3-benzodioxol-5-ylcarbonyl) amino] "part," 1,3-benzodioxol-5-ylcarbonyl "refers to 1,3-benzodioxane-5-carbonyl, which is a benzene ring and dioxane structure and is connected to the 5-position carbonyl group (C = O), the carbonyl group is then connected to the amino group, namely -NH-CO- (1,3-benzodioxane-5-yl), and the part is connected to the second position of the main chain.

"4,5,6,7-tetrahydro-1-benzothiophene" indicates that the main chain is a structure formed by hydrogenation of 1-benzothiophene at positions 4, 5, 6, and 7. The thiophene ring is fused to the benzene ring, and after hydrogenation, some double bonds become single bonds. "3-carboxylate" refers to the main chain with a carboxylic acid ester group at position 3, which can be known as carboxylic acid ethyl ester group combined with "ethyl", that is, -COOCH -2 CH.

In summary, the chemical structure of this compound is 4,5,6,7-tetrahydro-1-benzothiophene as the main chain, with [ (1,3-benzodioxane-5-yl) carbonyl] amino at 2 positions and carboxylic acid ethyl ester at 3 positions. Its structure is illustrated as follows (only for illustration, it is difficult to accurately present the complete structure in text): After the main chain benzothiophene is hydrogenated, the above groups are connected at corresponding positions.

What are the physical properties of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate

Ethyl 2 - [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] - 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate is an organic compound. Its physical properties are as follows:

The morphology of this compound, or a crystalline solid, and the combination of polycyclic and heteroatoms in its molecular structure shows that the intermolecular forces are relatively regular, and it is easy to arrange into an ordered lattice, so it is often crystalline.

When it comes to the melting point, due to the existence of various forces in the molecule, such as the conjugation between the benzodioxacyclopentene carbonyl and the benzothiophene ring, and the possible hydrogen bonding between the carboxyl ethyl ester and the amino group, the intermolecular binding is tight, and the melting point is expected to be in a relatively high range, or between 150 ° C and 250 ° C.

In terms of solubility, in view of the polar amino group, carbonyl group and ester group in the molecule, as well as the non-polar benzene ring and hydrogenated thiophene ring, it belongs to the structure of both polar and non-polar. In polar organic solvents such as ethanol and acetone, because polar groups can form hydrogen bonds or dipole-dipole interactions with solvents, there is a certain solubility; while in non-polar solvents such as n-hexane, because the proportion of non-polar parts is not absolutely dominant, the solubility is relatively limited.

In appearance, if there are no impurities, the pure product may be white to off-white, because the molecular structure does not contain too many large conjugated systems or heavy metal ions that can cause strong coloration.

Its density will be higher due to the compactness of molecular stacking. Due to the variety of atoms in the molecule and the complex structure, the mass per unit volume is large. The physical properties of Ethyl 2 - [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] - 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate are influenced by its unique molecular structure, which plays a key role in different application scenarios.

What is the synthesis method of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate

To prepare ethyl 2- [ (1,3 - benzodioxane - 5 - carbonyl) amino] -4, 5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylic acid ethyl ester, the method is as follows:
first take an appropriate amount of 1,3 - benzodioxane - 5 - carboxylic acid, placed in a clean reaction vessel. The condensation reaction is carried out with 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester at a suitable temperature and under the protection of inert gas with a suitable dehydrating agent, such as dicyclohexylcarbodiimide (DCC), accompanied by 4-dimethylaminopyridine (DMAP) as a catalyst. The purpose of this reaction is to make the carbonyl group of 1,3-benzodioxane-5-carboxylic acid interact with the amino group of 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester to form the desired amide bond. During the
reaction process, the reaction process needs to be closely monitored, which can be observed by means of thin layer chromatography (TLC). When the reaction reaches the desired degree, the reaction mixture is post-treated. First, an appropriate organic solvent, such as ethyl acetate, is extracted to separate the organic phase. Then the organic phase is washed with water and saturated salt water to remove impurities. Then, the organic phase is dried with a desiccant such as anhydrous sodium sulfate, and the desiccant is filtered off. After distillation under reduced pressure to remove the organic solvent, the crude product is obtained.
For further purification of the crude product, column chromatography can be used to separate and purify the solution with a suitable eluent, such as petroleum ether and ethyl acetate mixed in a certain proportion, and collect the fraction containing the target product. Finally, the pure ethyl 2- [ (1,3-benzodioxyamyl-5-carbonyl) amino] -4, 5,6,7-tetrahydro-1-benzothiophene-3-carboxylate can be obtained through reduced pressure concentration, crystallization and other operations. During the whole process, attention must be paid to the precise control of the reaction conditions and the specification of each step to obtain satisfactory yield and purity.

What are the application fields of ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate

Ethyl 2 - [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] - 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate is an organic compound. Its application field is quite wide, and it is often used as an intermediary in drug synthesis in the field of pharmaceutical chemistry. Due to its unique chemical structure, it can react with other compounds by organic synthesis to construct molecular structures with specific pharmacological activities, and then it is expected to develop new therapeutic drugs, such as targeted therapeutic drugs for specific diseases, to help maintain human health.

In the field of materials science, it also has its application. Or it can be used as a building block of functional materials. After rational molecular design and assembly, materials with special properties, such as optical properties, electrical properties or adsorption properties, can be prepared, and have potential application value in optoelectronic devices, sensors, etc.

Furthermore, in the study of organic synthesis chemistry, this compound can be used as a model substrate to explore novel organic reaction pathways and synthesis strategies, so as to expand the methodology of organic synthesis, open up a broader synthesis pathway for chemists, and help synthesize more complex and valuable organic compounds.

What is the market outlook for ethyl 2- [ (3-benzodioxol-5-ylcarbonyl) amino] -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate

Today there is ethyl + 2 - [ (1,3 - benzodioxol - 5 - ylcarbonyl) amino] - 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate, which is the name of an organic compound. It is unheard of by ordinary people and is only more common in the field of professional chemistry.

Looking at its market prospects, this compound may have potential opportunities in the field of pharmaceutical research and development. Chemical researchers often use such compounds to explore new drug synthesis pathways because of their special chemical structure or unique biological activity. If its interaction with biological targets can be accurately analyzed, or new therapeutic drugs can be developed, it is of certain value in the frontier research of pharmaceuticals.

In the field of materials science, although its application is not yet extensive, its structural properties may inspire scientists to explore new functional materials. For example, in the research and development of organic semiconductor materials, the structural units of such compounds may be rationally designed and modified to endow the materials with unique electrical and optical properties, providing new ideas for material innovation.

However, its marketing activities also face challenges. Synthesis of the compound may require complex processes and expensive raw materials, resulting in high production costs. And the study of its properties and applications is still in its early stages, and a lot of experiments and time are required to clarify the advantages and limitations. Therefore, large-scale commercial application may be difficult to achieve in the short term, but in the long run, if it can break through technical bottlenecks and reduce costs, it may emerge in the field of medicine and materials and open up new markets.