What is the chemical structure of ethyl 2- {[ (2E) -3- (3-nitrophenyl) prop-2-enoyl] amino} -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?

This is the nomenclature of an organic compound. To clarify its chemical structure, it is necessary to analyze it according to the system nomenclature. "Ethyl" is an ethyl group, which is attached to the main chain as a substituent. "2- {[ (2E) -3- (3-nitrophenyl) prop-2-enoyl] amino} -4, 5,6,6, 7-tetrahydro-1-benzothiophene-3-carboxylate", "4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate" indicates that the main chain is a carboxylic acid ester containing a sulfur heterocycle, the hydrogen at 4,5,6,7 is reduced, and the carboxylic acid ethyl at 3. "2- {[ (2E) -3- (3-nitrophenyl) prop-2-enoyl] amino}" indicates that the nitrogen atom is connected to a specific alkenyl group at 2 positions. This alkenyl group is of the (E) configuration, and the 3-nitrophenyl group is connected at 3 positions.

According to this, its chemical structure is roughly: 4,5,6,7-tetrahydro-1-benzothiophene-3-ethyl carboxylate as the backbone, 2-position nitrogen-linked (2E) -3- (3-nitrophenyl) propyl-2-alkenyl group. Its structure contains functional groups such as benzothiophene heterocycle, enamide group, nitrophenyl group and carboxylic acid ethyl ester group. In this way, the chemical structure outline of this compound can be outlined.

What are the main uses of ethyl 2- {[ (2E) -3- (3-nitrophenyl) prop-2-enoyl] amino} -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?

Ethyl 2- {[ (2E) -3- (3-nitrophenyl) prop-2-enoyl] amino} -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate, the Chinese name can be translated as 2- {[ (2E) -3- (3-nitrophenyl) acryloyl] amino} -4, 5, 6, 7 -tetrahydrobenzo [b] thiophene-3-carboxylic acid ethyl ester, this compound has important uses in many fields.

In the field of pharmaceutical chemistry, it is often used as a lead compound. Because its structure contains specific functional groups, such as nitrophenyl, enoamide and benzothiophene structures, or has unique biological activities. Researchers can use its structure modification and optimization to explore its effect on specific disease-related targets. For example, targeting some key proteins in cancer cell proliferation, or using the compound's structural modification, the development of targeted anti-cancer drugs is expected to interfere with cancer cell signaling pathways and inhibit cancer cell growth and spread.

In the field of materials science, this compound may have made a name for itself in the field of optical materials due to its unique chemical structure and electronic properties. Its conjugated structure may enable the material to have specific optical properties, such as fluorescence emission properties. It can be processed into fluorescent probes for biological imaging to help scientists observe specific molecular or cellular activities in organisms; or used to prepare organic Light Emitting Diode (OLED) materials to improve the performance of display technology and obtain better display effects.

In the field of organic synthetic chemistry, it is an important intermediate. Because it contains multiple reactive activity check points, chemists can use these check points to construct more complex organic molecular structures by various organic reactions, such as nucleophilic substitution, electrophilic addition, etc., to provide an effective way for the synthesis of new organic compounds, expand the organic compound library, and promote the development of organic synthetic chemistry.

What is the synthesis method of ethyl 2- {[ (2E) -3- (3-nitrophenyl) prop-2-enoyl] amino} -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?

Alas! To prepare ethyl + 2 - {[ (2E) -3 - (3 - nitrophenyl) prop - 2 - enoyl] amino} -4, 5, 6, 7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate, the method is not the same, the above one.

First take 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate ethyl ester, with appropriate alkali agents, such as potassium carbonate, etc., in an organic solvent, such as acetonitrile, stir and dissolve it. Take (2E) -3 - (3-nitrophenyl) acryloyl chloride and slowly drop it into the above mixture. Control its temperature, usually around room temperature, to fully react. The amination reaction of this acid chloride with ethyl carboxylate can obtain the precursor of the target.

After the reaction is completed, the reaction is quenched with water, and then extracted with an organic solvent, such as ethyl acetate. The organic phase is collected, dried with anhydrous sodium sulfate, filtered, and distilled under reduced pressure to remove the solvent. The obtained crude product can be purified by column chromatography, and the appropriate eluent, such as the mixture of petroleum ether and ethyl acetate, is prepared in proportion, leached and separated to obtain pure ethyl + 2 - {[ (2E) -3 - (3 - nitrophenyl) prop - 2 - enoyl] amino} -4, 5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate. During operation, when paying attention to safety, fire avoidance sources, antitoxins, and the dosage of each reagent, reaction time, temperature and other conditions, it can be fine-tuned and optimized to achieve good effect.

What are the physical properties of ethyl 2- {[ (2E) -3- (3-nitrophenyl) prop-2-enoyl] amino} -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?

Eh! This is an organic compound named ethyl-2 - {[ (2E) -3 - (3-nitrophenyl) propyl-2-enyl] amino} -4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ester. Its physical properties are as follows:
In terms of concept, it is either solid state, often crystalline, and the cover is due to its strong intermolecular force, resulting in an orderly arrangement of molecules. As for the color, it is either colorless to light yellow, because it contains chromophore groups such as benzene ring and nitro group, or causes some color.
When it comes to melting point, in its molecular structure, benzene ring and thiophene ring give rigidity, amide bond and ester group can form hydrogen bond, and the intermolecular force is complicated. Therefore, the melting point may be higher, and the specific value varies depending on the purity and test conditions, about 100-200 degrees Celsius.
In terms of solubility, this compound has a certain polarity, because it contains nitro, amide group and ester group. However, there are non-polar parts such as benzene ring and thiophene ring. In organic solvents, such as dichloromethane, chloroform, N, N-dimethylformamide (DMF), it may have good solubility. Due to the principle of similar miscibility, organic solvents can interact with polar and non-polar parts of the molecule. In water, due to the limited polarity of the whole, the solubility is poor, only slightly soluble or insoluble.
Volatility, due to the large molecular weight and strong intermolecular force, low volatility, at room temperature and pressure, it is not easy to volatilize into gas.
Density or greater than water, its molecular structure is compact, atomic weight is large, so that the unit volume mass is heavier.

The above physical properties are all inferred from their chemical structure and the commonality of organic compounds. The actual value needs to be accurately determined by experiments.

What are the chemical properties of ethyl 2- {[ (2E) -3- (3-nitrophenyl) prop-2-enoyl] amino} -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate?

This compound is ethyl2- {[ (2E) -3- (3-nitrophenyl) propane-2-enyl] amino} -4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ester. Its chemical properties are quite rich.

From a structural perspective, this compound contains multiple functional groups, each of which endows it with unique chemical properties. Containing ester groups, ester groups have hydrolytic properties and can undergo hydrolysis reactions under acidic or basic conditions. In acidic media, hydrolysis generates corresponding carboxylic acids and alcohols; under alkaline conditions, hydrolysis is more thorough, resulting in carboxylic salts and alcohols, which are typical reaction characteristics of ester compounds.

The amide bonds within the molecule are also important. The amide bond is relatively stable, but under the condition of strong acid or strong base and heating, it can also be hydrolyzed to form carboxylic acids and amine compounds. This is because acid and base can promote the electrophilicity of carbonyl carbons in amide bonds to increase or the nucleophilicity of amino nitrogen to change, thereby breaking the bond.

Furthermore, the benzothiophene ring and nitrophenyl group in the molecule have certain electron delocalization characteristics due to the existence of a conjugation system. Nitro is a strong electron-absorbing group, which will affect the electron cloud density distribution of the benzene ring, making the benzene ring more prone to nucleophilic substitution reactions. At the same time, benzothiophene rings also exhibit unique electronic activity due to conjugation effects, and can participate in various electrophilic or nucleophilic reactions under appropriate conditions. The presence of double bonds allows the compound to undergo addition reactions. For example, when hydrogenation occurs with hydrogen under the action of a catalyst, the double bond is converted into a single bond; when adding hydrogen to hydrogen halides, according to the Markov rule, hydrogen atoms are added to the carbon containing more hydrogen double bonds, and halogen atoms are added to the carbon containing less hydrogen double bonds. These characteristics are due to the specific structure of the compound, and different functional groups interact with each other, forming its diverse chemical properties.