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

"Ethyl + 2 - {[ (2E) -3- (furan - 2 - yl) prop - 2 - enoyl] carbamothioyl} amino - 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate" is the expression of the naming of organic compounds. According to this naming, its chemical structure can be deduced as follows:

The main structure of this compound is 4,5,6,7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate ethyl ester, that is, the benzothiophene ring part, which has a tetrahydro structure on the ring, and is connected to the carboxylic acid ethyl ester group at the 3rd position. In the 2-position, there is a substituent containing thiocarbamoyl group. In this substituent, [ (2E) -3- (furan-2-yl) propylene-2-alkenyl] is connected to the aminoformyl group. The 2-position of the propylene-2-alkenyl group is of the E configuration, and the 3-position is connected to the furan-2-group.

In summary, the structure of this compound is composed of benzothiophene ring, carboxylic acid ethyl, furan-containing alkenyl thiocarbamoyl and other parts. Each part is connected to each other according to the naming convention to build its overall chemical structure.

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

Ethyl 2- ({[ (2E) -3- (furan-2-yl) prop-2-enoyl] carbamothioyl} amino) -4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is an organic compound. Its physical properties can be viewed from the following aspects:

** Appearance **: It may be in a solid state, but its appearance is often affected by the synthesis method and purity due to the characteristics of the organic compound. If the synthesis process is delicate, the purity is quite high, or it is a crystalline solid with a regular crystal structure and luster; if the purity is slightly inferior, or it is an amorphous powder, the appearance is slightly rough.

** Melting point **: This compound contains many complex functional groups, such as furanyl, alkenyl, aminothioformyl, benzothienyl, etc. The interactions between functional groups, such as hydrogen bonds, van der Waals forces, etc., affect the stacking mode and stability of molecules, and then determine the melting point. According to common sense, due to the strong intermolecular forces, its melting point may be in a certain high temperature range, but the exact value needs to be accurately determined experimentally.

** Solubility **: From the perspective of functional groups, furyl groups and benzothiophenyl groups have certain hydrophobicity, while some atoms in carboxyl ethyl esters and aminothioformyl groups can form hydrogen bonds with water molecules, which have certain hydrophilicity. Therefore, this compound may have good solubility in organic solvents such as dichloromethane, chloroform, acetone, etc. Due to the principle of similar miscibility, its hydrophobic part can interact with organic solvents; solubility in water is limited or limited, but under specific conditions, such as adjusting the pH of the solution to hydrolyze carboxyl ethyl esters into carboxyl anions, its solubility in water can be enhanced.

** Density **: The molecular structure of this compound is complex and the relative molecular weight is large, and the degree of molecular tight packing affects the density. Since it contains multiple ring structures and heavier atoms, its density may be greater than that of water, but the exact density value also needs to be measured experimentally.

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

To prepare ethyl 2- ({[ (2E) -3- (furan-2-yl) prop-2-enoyl] carbamothioyl} amino) -4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, the synthesis method needs to follow several delicate steps.

At the beginning, when a suitable 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid derivative is taken, which is the basis for building the molecular skeleton. It can meet the compound containing the isothiocyanate group, and the two are combined by nucleophilic addition. The sulfur atom of the isothiocyanate is combined with the suitable nucleophilic check point in the carboxylic acid derivative to form an intermediate product containing the thiourea structure. In this step, it is necessary to pay attention to the control of reaction conditions, such as temperature and solvent selection. Choose a suitable organic solvent, such as dichloromethane or acetonitrile, to maintain a moderate temperature, or at room temperature, or slightly heated to promote the smooth progress of the reaction.

Then, make this intermediate product meet with (2E) -3- (furan-2-yl) propyl-2-enylhalide. The active halogen atom of the enylhalide reacts with the nitrogen atom of the thiourea in the intermediary product, thereby introducing the (2E) -3- (furan-2-yl) propyl-2-enylhalide moiety. In this process, the addition of acid binding agents, such as triethylamine or pyridine, is indispensable to capture the hydrogen halide generated by the reaction and ensure that the reaction balance moves in the direction of generating the target product.

Finally, through a series of separation and purification techniques, such as column chromatography or recrystallization, the unreacted raw materials and by-products are removed to obtain pure ethyl 2- ({[ (2E) -3- (furan-2-yl) prop-2-enoyl] carbamothioyl} amino) -4, 5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate. When recrystallizing, carefully select the solvent, and select the appropriate solvent combination according to the solubility characteristics of the product to achieve the best purification effect. Column chromatography requires the selection of suitable stationary and mobile phases to ensure effective separation of the product and impurities. In this way, the target compound is obtained through multiple steps of delicate reaction and fine purification.

What are the application fields of ethyl 2- ({[ (2E) -3- (furan-2-yl) prop-2-enoyl] carbamothioyl} amino) -4,5,6, 7-tetrahydro-1-benzothiophene-3-carboxylate?

Eh! This "ethyl 2- ({[ (2E) -3- (furan-2-yl) prop-2-enoyl] carbamothioyl} amino) -4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxylate" is the name of an organic compound. Its application field is really related to many.

In the field of medicinal chemistry, it may have potential medicinal value. Chemists often explore the relationship between the structure and activity of such compounds, hoping that they can become precursors of new drugs. Looking at their structure, the furan group, benzothiophene group, etc. can be specifically combined with targets in organisms, thereby regulating physiological processes and finding new ways for disease treatment, such as anti-inflammation, anti-tumor, etc., or can make a difference.

In the field of materials science, such organic compounds may also have wonderful uses. Due to their special structure, they may give materials unique optical and electrical properties. They can be used to prepare functional materials, such as organic Light Emitting Diode (OLED) materials, which achieve high-efficiency light emission by virtue of their structural properties; or as sensor materials, which interact with specific substances to trigger measurable signal changes to detect specific components in the environment.

In agricultural chemistry, it may be developed as a new type of pesticide. Its unique chemical structure may have inhibitory and killing effects on certain pests and bacteria, and it may be more selective and less environmentally toxic than traditional pesticides, contributing to the development of green agriculture.

In short, although this compound is unfamiliar, it has the potential for development and application in many fields such as medicine, materials, agriculture, etc. It is urgent for scientific researchers to explore it in depth to reveal its more functions.

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

It is not easy to know the safety of ethyl 2- ({[ (2E) -3- (furan - 2 - yl) prop - 2 - enoyl] carbamothioyl} amino) -4, 5, 6, 7 - tetrahydro - 1 - benzothiophene - 3 - carboxylate. This substance may be a newly created organic compound, and its safety must be carefully investigated from multiple ends.

Looking at its chemical structure, it contains groups such as furans and benzothiophenes. Furans pose latent risks in many compounds. If they have certain biological activities, they can interact with molecules in organisms. Benzothiophenes may also affect physiological processes. However, it is difficult to determine the whole picture according to the structure.

When it comes to safety, its toxicological characteristics should be investigated. Animal experiments are required to observe its acute and slow toxic effects. If mice and rats are used as models, half of the lethal dose through mouth, skin and inhalation can be measured to demonstrate acute toxicity. Long-term exposure experiments can observe the effects on organ function, growth and development, reproduction, etc.

It is necessary to investigate its environmental safety. If released in the environment, how is its degradability? Will it accumulate in organisms and cause ecological chain damage? Stability and transformation pathways in water, soil and atmosphere are all key.

And the safety of its production process cannot be ignored. Raw materials, intermediates, synthesis conditions, or hazardous chemicals and operations, fire prevention, explosion prevention, and leakage prevention measures must be complete.

In short, in order to clarify the safety of this compound, it is necessary to collect experimental data and analyze all aspects of the impact in detail.