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What is the chemical structure of ethyl 2- [ (phenylcarbamoyl) amino] -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate
This is an organic compound named "Ethyl 2 - [ (phenylaminoformyl) amino] -4, 5, 6, 7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate". Its structure is analyzed as follows:
1. The main chain core is a benzothiophene ring. This ring is formed by fusing a benzene ring with a thiophene ring, giving the compound unique chemical activity and physical properties. At positions 4, 5, 6, and 7, the hydrogen atom number indicates that the ring is partially saturated, and the tetrahydrogen structure makes its spatial configuration and electron cloud distribution different from that of the fully unsaturated benzothiophene.
2. At the 2 position, there are [ (phenylcarbamoyl) amino] substituents. Phenyl has a ring structure composed of six carbon atoms, which is rich in electrons and has a conjugation effect, which can affect the distribution and reactivity of molecular electron clouds. Carbamoyl groups are connected to amino groups by carbonyl groups, among which carbonyl groups have strong electron-withdrawing properties and amino groups have electron-donning properties. The two synergistically affect the electron cloud density of the atoms connected to them. This substituent is connected to the benzothiophene ring at 2 positions through the amino nitrogen atom, which changes the electron cloud density at this position and affects the reaction check point and activity of the compound.
3.3 is connected to the carboxylic acid ester structure, which is "-COOCH < CH". Carbonyl carbons in ester groups are electrophilic and are vulnerable to attack by nucleophiles, triggering reactions such as hydrolysis and alcoholysis. Ethoxy (-OCH ² CH
) is a component of ester groups, which can affect the steric hindrance and solubility of molecules. The interaction of various parts in the structure of this compound determines its physicochemical properties and chemical reactivity, and may have important applications and research values in organic synthesis, medicinal chemistry and other fields.
What are the main uses of ethyl 2- [ (phenylcarbamoyl) amino] -4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl 2 - [ (phenylcarbamoyl) amino] -4, 5, 6, 7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate, which is a crucial compound in the field of organic synthesis. Looking at its use, drug development is the first to be promoted. In the pharmaceutical industry, the unique benzoyl amino and benzothiophene ring system in its structure endows it with potential biological activity. Many studies have been devoted to finding new drug lead compounds with high efficiency and low toxicity by modifying and optimizing the structure of this compound.
Furthermore, it also has applications in the field of materials science. Due to its specific chemical structure, or can be treated by specific processes, materials with special properties can be prepared, such as materials with selective adsorption or identification functions for specific substances, which have potential applications in separation, sensing and other fields.
In addition, in the study of organic synthetic chemistry, this compound is often used as a key intermediate. Through various organic reactions, such as nucleophilic substitution, addition and other reactions, it can be converted into organic compounds with more complex structures and functions, providing a key foundation for the development of organic synthetic chemistry, promoting the exploration and innovation of new reactions and new methods.
What is the synthesis method of ethyl 2- [ (phenylcarbamoyl) amino] -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate
To prepare ethyl 2- [ (phenylcarbamoyl) amino] -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate, the following ancient methods can be used.
First, the corresponding starting materials need to be prepared, with 4,5,6,7 -tetrahydro- 1 -benzothiophene-3 -carboxylic acid ethyl ester as one. This raw material can be prepared from a suitable thiophene derivative through a specific reaction sequence, for example, under suitable conditions, by condensation with a sulfur-containing reagent and a benzene ring derivative, and then by reduction and esterification.
Another step is to prepare phenylcarbamoyl chloride, which is usually prepared by reacting aniline with phosgene or phosgene substitute in a suitable solvent at a suitable temperature and in the presence of a base.
Then, 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester is reacted with the prepared phenyl carbamoyl chloride. This reaction needs to be carried out under alkali catalysis in suitable organic solvents such as dichloromethane, toluene, etc. The base can be selected from triethylamine, pyridine, etc. Its function is to neutralize the acid generated by the reaction and promote the forward progress of the reaction. The reaction temperature should be controlled in the range of low temperature to room temperature, and fine-tuned according to the specific situation. During this process, the amino group undergoes a nucleophilic substitution reaction with the acyl chloride to generate the target product ethyl 2- [ (phenylcarbamoyl) amino] -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate.
After the reaction is completed, the reaction mixture is processed by conventional separation and purification methods The alkali and water-soluble impurities can be removed by washing with water, and then dried in an organic phase, such as anhydrous sodium sulfate or magnesium sulfate. After that, the solvent is removed by reduced pressure distillation, and the product is further purified by column chromatography or recrystallization to obtain high purity ethyl 2- [ (phenylcarbamoyl) amino] -4, 5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate.
What are the physical properties of ethyl 2- [ (phenylcarbamoyl) amino] -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl 2- [ (phenylcarbamoyl) amino] -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate, is an organic compound. Its physical properties are worth exploring.
Looking at its morphology, under normal temperature and pressure, it is mostly in a solid state. Due to the intermolecular force, it has a relatively fixed structure, resulting in a condensed phase.
When it comes to melting point, although the exact value needs to be determined experimentally and accurately, it is inferred from the same kind of compounds that because of its molecular structure containing benzene ring, amide group and ester group, these groups interact to enhance the intermolecular force, and the melting point may be in a relatively high range.
Its solubility is also an important physical property. In organic solvents, such as common ethanol, acetone, etc., due to the principle of similar miscibility, the compound may have a certain solubility. Because its molecule contains non-polar parts such as benzene rings, it can interact with the non-polar region of organic solvents; at the same time, the polarity of amide groups and ester groups, although they can interact with polar solvents, is limited in solubility in water due to the influence of long carbon chains and benzene rings.
The characteristics of its density are also related to the molecular structure and packing method. From the structure, it can be seen that the molecules are relatively compact, the atomic arrangement is denser, and the density is larger than that of water, but the exact value still needs to be measured experimentally.
In addition, the color of the compound, in its pure state, may be white to off-white, which is a common color state of many organic compounds containing benzene rings and heterocycles.
In summary, ethyl 2- [ (phenylcarbamoyl) amino] -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate have specific physical properties, but the exact data still depends on rigorous experiments.
What is the market outlook for ethyl 2- [ (phenylcarbamoyl) amino] -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate
Today, there is a product called ethyl + 2 - [ (phenylcarbamoyl) amino] - 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate. Looking at its market prospects, it seems that the fog is waiting to be revealed, hidden behind various factors.
This product is in the field of scientific research, or it is a guide to new paths. Nowadays, scientific research is advanced, and the exploration of new compounds is as bright as Xinghan. Its unique structure may open up other methods for drug development, material innovation and other fields. If we can gain something in pharmacological activity, find the fit with the target of disease, or pave the foundation for the creation of new drugs, like a ship getting a lighthouse in the vast sea of medicine, leading the way.
In terms of industrial production, the prospects are also uncertain. The difficulty of its synthesis path, the availability and cost of raw materials are all key. If the synthesis method is simple and efficient, and the raw materials are abundant and cheap, such as good materials are easily available, skilled craftsmen and craftsmen can be produced on a large scale, it will emerge in the chemical industry and add a pearl to the industry. On the contrary, if the synthesis is cumbersome and the raw materials are rare, it may be as difficult to cut as beautiful jade, limiting its large-scale application.
Furthermore, the direction of market demand also affects its prospects. If the needs of the times, there is ardent hope for new materials and special drugs, and this material can just respond, such as rain in a drought, the market is vast and the business opportunities are unlimited. On the contrary, if the market demand for such compounds is very small, or there are already many similar competitors occupying the high ground, the way forward may be full of thorns.
To sum up, the market prospect of ethyl + 2 - [ (phenylcarbamoyl) amino] - 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate lies in the trade-off game between scientific research breakthroughs, production efficiency and market demand. It is just like the situation is changing, and it needs to be grasped by the wise to clear the clouds and see the bright and smooth road.