What is the chemical structure of (2S, 3S, 4R) -methyl 4- ((3- (1-difluorobut-3-en-1-yl) -7-methoxyquinoxalin-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzenesulfonate?

" (2S, 3S, 4R) -methyl 4- ((3- (1-difluorobut-3-en-1-yl) -7-methoxyquinoxalin-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzenesulfonate" is the English name of an organic compound. To clarify its chemical structure, it is necessary to analyze it according to the naming rules of organic chemistry.

First, " (2S, 3S, 4R) " indicates the configuration of the specific chiral center of the compound, which is the label of stereochemistry and determines the orientation of its spatial structure. "Methyl" indicates the presence of a methyl ester group, which is the part where carboxylic acid and methanol form esters.

"4- ((3- (1, 1-difluorobut-3-en-1-yl) -7-methoxyquinoxalin-2-yl) oxy) " This part reveals that there is an oxygen atom in the molecule connecting two structural fragments. One is "3- (1-difluorobut-3-en-1-yl) -7-methoxyquinoxalin-2-yl", which is the structure of the quinoxaline ring, with 1,1-difluorobutyl-3-ene-1-group attached at the 3rd position of the quinoxaline ring and methoxy group at the 7th position.

"3-ethylpyrrolidine-2-carboxylate" epitomolecular molecule contains 3-ethylpyrrolidine-2-carboxylic acid ester structure, and the pyrrolidine ring has ethyl group at the 3rd position and ester group at the 2nd position.

And "4-methylbenzenesulfonate" represents the p-methylbenzenesulfonate ion, which forms a salt with the cationic part of the above ester-containing and quinoxaline structure.

In summary, the structure of this compound is composed of a pyrrolidine carboxylate with a specific chiral center, a quinoxaline derivative connected by an oxygen atom, and a p-toluenesulfonate ion, forming a unique organic salt structure.

What are the physical properties of (2S, 3S, 4R) -methyl 4- ((3- (1-difluorobut-3-en-1-yl) -7-methoxyquinoxalin-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzenesulfonate?

This compound is named (2S, 3S, 4R) -methyl 4- ((3- (1,1-difluorobutyl-3-ene-1-yl) -7-methoxyquinoxaline-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzene sulfonate.

Its physical properties are usually closely related to its chemical structure. From a structural point of view, the compound contains multiple functional groups, which have a significant impact on its properties.

In terms of solubility, the presence of polar groups in the molecule, such as carboxylate and benzenesulfonate moieties, enhances its solubility in polar solvents, such as in water or alcoholic solvents. However, the long carbon chain and aromatic ring parts have certain hydrophobicity, which may limit their solubility in polar solvents.

In terms of melting point, the complex structure makes the interaction between molecules rich. Ionic bonds, hydrogen bonds and van der Waals forces work together to generally lead to a high melting point. Because the electrostatic interaction between the ionic parts and the hydrogen bonds between molecules require high energy to overcome, the compound can be converted from a solid state to a liquid state.

In appearance, since it is an organic salt compound, it is likely to appear as a white or off-white solid powder substance, which is a common appearance of many organic salts.

In terms of stability, quinoxaline rings, pyrrolidine rings and other structures are relatively stable, but under extreme conditions such as strong acids, strong bases or high temperatures, functional group conversion or decomposition reactions may occur. For example, in a strong acid environment, the protonation reaction of carboxylate and benzenesulfonate may occur, which affects its stability; at high temperatures, carbon-carbon bonds and carbon-heteroatomic bonds may also break.

What is the synthesis method of (2S, 3S, 4R) -methyl 4- ((3- (1-difluorobut-3-en-1-yl) -7-methoxyquinoxalin-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzenesulfonate?

To prepare (2S, 3S, 4R) -methyl 4- ((3- (1,1-difluorobutyl-3-ene-1-yl) -7-methoxyquinoxaline-2-yl) oxy) - 3-ethylpyrrolidine-2-carboxylate 4-methylbenzene sulfonate, the synthesis method is a delicate technique.

First, the relevant starting materials need to be prepared, such as quinoxaline derivatives containing specific substituents, pyrrolidine carboxylate esters and difluorobutylene compounds. The preparation of this starting material should follow a rigorous organic synthesis path. For the preparation of compounds containing difluorobutenyl groups, the corresponding halogenated hydrocarbons and difluoroenylation reagents can be obtained by nucleophilic substitution under suitable reaction conditions.

Then, the hydroxyl group of the quinoxaline derivative and the halogenated hydrocarbon part of the pyrrolidine carboxylate are catalyzed by a base for nucleophilic substitution. The choice of this base is very critical. If it is too strong, it is easy to cause side reactions, and if it is too weak, it is difficult to advance the reaction. Usually, weak bases such as potassium carbonate and sodium carbonate can be selected. In a suitable organic solvent, such as N, N-dimethylformamide (DMF) or acetonitrile, the reaction is heated and stirred to promote the connection of the two to form a key ether bond.

Furthermore, the introduction of difluorobutenyl can utilize a metal-catalyzed coupling reaction. For example, with a palladium catalyst, under the synergistic action of ligands, the halogenated hydrocarbons containing difluorobutenyl can be coupled with the obtained intermediates to form a complete core structure.

Finally, after the core structure is formed, it reacts with 4-methylbenzenesulfonic acid to form a salt in an appropriate solvent, such as an ether solvent, to obtain the target product (2S, 3S, 4R) -methyl 4- ((3- (1,1-difluorobutyl-3-ene-1-yl) -7-methoxyquinoxaline-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzenesulfonate. After each step of the reaction, the product needs to be purified by column chromatography, recrystallization and other methods to ensure the purity and yield of the reaction, and finally obtain a pure target product.

What are the applications of (2S, 3S, 4R) -methyl 4- ((3- (1-difluorobut-3-en-1-yl) -7-methoxyquinoxalin-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzenesulfonate?

(2S, 3S, 4R) -methyl 4- ((3- (1,1-difluorobutyl-3-ene-1-yl) -7-methoxyquinoxaline-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzene sulfonate is widely used. In the field of medicine, it can be used as an active ingredient to develop new drugs. Due to its unique chemical structure or specific pharmacological activity, it is expected to play a key role in the treatment of certain diseases, such as intractable diseases, and help doctors overcome many intractable diseases. < Br >
In the field of organic synthesis, this compound is an important intermediate. Organic synthesis craftsmen can transform it into organic molecules with more complex structures and unique functions through clever chemical reactions. In this way, the variety of organic compounds can be enriched, providing a variety of options for the development of materials science and other related fields.

In the field of materials science, or because of its special properties, it can contribute to the development of new materials. For example, the preparation of materials with special optical and electrical properties plays an important role in electronic equipment, optical instruments, etc., so that the performance of related products can be improved, and contribute to today's scientific and technological progress.

This compound has potential applications in many key fields such as medicine, organic synthesis, and materials science, and its existence cannot be underestimated.

What is the safety of (2S, 3S, 4R) -methyl 4- ((3- (1-difluorobut-3-en-1-yl) -7-methoxyquinoxalin-2-yl) oxy) -3-ethylpyrrolidine-2-carboxylate 4-methylbenzenesulfonate?

I look at what you said about (2S, 3S, 4R) -methyl 4- ((3- (1,1-difluorobutyl-3-ene-1-yl) -7-methoxyquinoxaline-2-yl) oxy) - 3-ethylpyrrolidine-2-carboxylate 4-methylbenzene sulfonate, which is a complex chemical substance. However, it is not easy to know its safety.

In the context of "Tiangong Kaiwu", although there is no such fine chemistry, there are related reasons. If you want to know its safety, you should first look at its source like the ancient people probing for objects. The synthesis of this substance must go through multiple steps, and the raw materials and processes used may contain potential hazards.

Looking at its chemical structure, groups such as difluorobutenyl, quinoxaline, pyrrolidine and benzenesulfonate each have their own properties. The introduction of fluorine atoms may change its chemical and biological activities, or have certain toxicity and bioaccumulation. And quinoxaline structures, in some analogs, have been seen to have specific effects on organisms, or stimulate or interfere with physiological functions.

To really know its safety, modern methods and rigorous experiments are required. Such as toxicology experiments, to measure its acute and chronic toxicity to different organisms, observe its impact on cells and organs; environmental behavior experiments, to observe its decomposition, migration and transformation in the natural environment, and its impact on the ecosystem.

Although it is difficult to immediately assert its safety, after many studies, a more accurate conclusion can be obtained to judge whether it is safe in production, use, etc.