What is the chemical structure of 4-Chloro-Benzenesulfonic Acid 5- (2,4-Difluoro-Phenyl) -5- [1,2,4] Triazol-1-Ylmethyl-Tetrahydro-Furan-3-Ylmethyl Ester?
This is a rather complex organic compound whose chemical structure is composed of a combination of many specific groups. Looking at its name "4-chloro-benzenesulfonic acid-5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydrofuran-3-ylmethyl ester", it can be analyzed step by step.
First "4-chloro-benzenesulfonic acid", it can be seen that this compound contains a benzene ring, the fourth position of the benzene ring is connected with a chlorine atom, and the benzene ring is connected with a sulfonic acid group. " 5- (2,4-difluoro-phenyl) ", indicating that there is a 2,4-difluoro-substituted phenyl group at a specific position (5th position)." 5- [1,2,4] triazole-1-ylmethyl ", indicating that there is still a [1,2,4] triazole-1-ylmethyl group at the 5th position. And" tetrahydrofuran-3-ylmethyl ester ", revealing the presence of a tetrahydrofuran ring, which is connected in the form of a methyl ester at the 3rd position.
Overall, its chemical structure is: based on a certain core structure, benzene ring (with chlorine and sulfonic acid group), 2,4-difluoro-phenyl, [1,2,4] triazole-1-ylmethyl and tetrahydrofuran-3-ylmethyl ester are connected at specific positions. Each group constructs the unique chemical structure of this complex organic compound in a specific order and connection manner.
What are the main uses of 4-Chloro-Benzenesulfonic Acid 5- (2,4-Difluoro-Phenyl) -5- [1,2,4] Triazol-1-Ylmethyl-Tetrahydro-Furan-3-Ylmethyl Ester?
4-Chloro-benzenesulfonic acid-5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydrofuran-3-ylmethyl ester is useful in many fields.
In the process of pharmaceutical creation, it can be used as a key intermediate. From a fine chemical perspective, this compound can contribute to drug development due to its unique molecular structure. Due to the specific combination of functional groups, it is possible to interact with targets in organisms, or to participate in key physiological processes such as enzyme inhibition and receptor binding, thus paving the way for the birth of new drugs.
In the field of agricultural chemistry, such compounds may have the potential to be developed as pesticides. Their structural properties may enable them to inhibit or kill specific pests and pathogens. For example, by interfering with the physiological and metabolic pathways of pests, or destroying the cell walls, cell membranes and other structures of pathogens, they can achieve the purpose of protecting crops from damage, and then escort the harvest of agriculture.
In the field of materials science, it also has applications. Because the chemical properties of the compound are relatively stable and have a specific reactivity check point, it can be integrated into the material as a modifier or additive. It can improve the stability and durability of the material, or endow the material with special properties such as antibacterial and UV resistance, thereby broadening the application range of the material and playing a role in many fields such as aerospace and building materials.
In summary, 4-chloro-benzenesulfonic acid-5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydrofuran-3-ylmethyl ester has potential and important application value in medicine, agriculture, materials and other fields due to its unique structure and chemical properties.
What are the physicochemical properties of 4-Chloro-Benzenesulfonic Acid 5- (2,4-Difluoro-Phenyl) -5- [1,2,4] Triazol-1-Ylmethyl-Tetrahydro-Furan-3-Ylmethyl Ester?
4-Chloro-benzenesulfonic acid-5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydrofuran-3-ylmethyl ester The physical and chemical properties of this compound are crucial and are related to many practical applications.
First, its physical properties. Generally speaking, such organic ester compounds are mostly solid, and the same is true for this compound. Due to the existence of various functional groups in its structure, the crystal structure or the specific arrangement due to the interaction between molecules, the melting point is in a specific range. However, due to the lack of exact experimental data, it is difficult to accurately determine the melting point value. In appearance, it may be white to white powder-like substances. Due to the presence of benzene ring, triazole ring and other groups in the molecular structure, light is reflected and scattered on its surface, showing such color characteristics.
As for chemical properties, the chlorine atoms in this compound are connected to the benzene ring, which changes the electron cloud density of the benzene ring, causing it to have certain activity in the nucleophilic substitution reaction, or can be replaced by other nucleophilic reagents. Benzenesulfonic acid group is acidic, and under suitable conditions, acid-base reaction can occur, and the reaction with the base generates the corresponding benzene sulfonate. Tetrahydrofuran ring is relatively stable, but under the action of strong oxidants or special catalysts, ring-opening reaction may occur. 5 - (2,4 -difluoro-phenyl) part, the fluorine atom has a large electronegativity, which has a significant impact on the electron cloud of the benzene ring, or changes its aromaticity-related reactivity. 5 - [1,2,4] triazole-1 -ylmethyl part, the triazole ring has a certain conjugate system, has unique electronic effects, or participates in various electrophilic and nucleophilic reactions, and the nitrogen atom of this part can be used as a potential check point to form complexes with metal ions.
In addition, the solubility of this compound in different solvents also varies due to the presence of multiple different groups. In polar solvents, the hydrophilicity of benzenesulfonic acid groups may have a certain solubility; in non-polar solvents, non-polar parts such as benzene rings and fluorobenzene rings may also be dissolved to a certain extent. The specific solubility needs to be accurately determined by experiments.
4-Chloro-Benzenesulfonic Acid 5- (2,4-Difluoro-Phenyl) -5- [1,2,4] Triazol-1-Ylmethyl-Tetrahydro-Furan-3-Ylmethyl Ester?
To prepare 4-chloro-benzenesulfonic acid 5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydro-furan-3-ylmethyl ester, the method is as follows:
Take an appropriate amount of 5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydro-furan-3-ylmethanol and place it in a clean reaction vessel. Add an appropriate amount of aprotic organic solvent, such as dichloromethane or N, N-dimethylformamide, and stir well to fully dissolve the alcohol compound to form a uniform solution.
In this solution, slowly add 4-chloro-benzenesulfonyl chloride. Pay attention to the change of reaction temperature when adding. You can add it dropwise in a low temperature environment, such as between 0 ° C and 5 ° C, to prevent the reaction from being too violent. After the dropwise addition is completed, add an appropriate amount of organic base, such as triethylamine or pyridine, to catalyze the reaction. The amount of alkali needs to be precisely controlled, usually in a molar ratio of about 1.2:1 to 1.5:1 to 4-chloro-benzenesulfonyl chloride.
Then, the temperature of the reaction system is gradually raised to room temperature, and the reaction is continuously stirred. The reaction time varies from several hours to ten hours. In this process, the reaction process needs to be monitored in real time by thin-layer chromatography (TLC) or high-performance liquid chromatography (HPLC) until the raw material 5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydro-furan-3-ylmethanol is basically consumed.
When the reaction is over, pour the reaction mixture into an appropriate amount of ice water to quench the reaction. At this time, the product 4-chloro-benzenesulfonic acid 5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydro-furan-3-ylmethyl ester is mostly precipitated as a solid or exists in the organic phase. If the product is a solid, it can be collected by filtration, and then washed with an appropriate amount of water and organic solvent in sequence to remove impurities; if the product is in the organic phase, it needs to be separated to collect the organic phase, and then dried with anhydrous sodium sulfate or magnesium sulfate. After filtering to remove the desiccant, the organic solvent can be removed by reduced pressure distillation to obtain a crude product.
Finally, the crude product can be purified by column chromatography, using suitable silica gel as the stationary phase, and petroleum ether and ethyl acetate mixed in a certain proportion as the mobile phase for elution and separation. The fraction containing the target product is collected and concentrated under reduced pressure to obtain pure 4-chloro-benzenesulfonic acid 5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydro-furan-3-ylmethyl ester. The whole synthesis process should pay attention to the standardization of operation to ensure the stability of reaction conditions, so as to improve the yield and purity of the product.
Is 4-Chloro-Benzenesulfonic Acid 5- (2,4-Difluoro-Phenyl) -5- [1,2,4] Triazol-1-Ylmethyl-Tetrahydro-Furan-3-Ylmethyl Ester a safety risk?
4-Chloro-benzenesulfonic acid 5- (2,4-difluoro-phenyl) -5- [1,2,4] triazole-1-ylmethyl-tetrahydrofuran-3-ylmethyl ester This substance is related to safety risks and cannot be ignored.
The properties of male substances all depend on it. However, this chemical substance has complex compositions, and its components interact with each other, or change unexpectedly. Although the details are not detailed, there are many potential dangers in chemical substances.
Looking at the past, many chemical agents have caused frequent disasters due to their unknown properties. Burning or exploding, injuring people and destroying things, a tragic experience. There are also hidden and difficult to detect, accumulating for many years, damaging people's health, until they are terminally ill, and regret it too late.
This ester contains elements such as chlorine and fluorine, and the halogen elements are more active. And triazolyl and other structures are often special in reactions. When it is stored and transported, the temperature and humidity are slightly poor, or when it encounters incompatible other things, it is afraid of a violent reaction.
As for the time of use, if the protection is not good, it will enter the body through the mouth, nose, and skin, and the viscera may be damaged. Therefore, when handling this thing, one must be cautious and cautious. According to accurate methods and comprehensive measures, one can reduce the risk of safety and ensure that everything goes smoothly, and everyone is safe.