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What is the chemical structure of (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydrofuran-3-yl) methyl 4-chlorobenzenesulfonate
The chemical structure of (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydropyrimidine-3-yl) methyl 4-chlorobenzoate allows me to explain in detail.
In the structure of this compound, the tetrahydropyrimidine ring is the core structure. At the 5th position of the pyrimidine ring, there are two substituents. The first is (1H-1,2,4-triazole-1-yl) methyl, which is formed by connecting the triazole ring to the methylene at the 1-position. The triazole ring has a unique nitrogen heterocyclic structure with three nitrogen atoms, which is common in many drugs and bioactive molecules, and can endow compounds with specific biological activities and physicochemical properties.
Another substituent is 5- (2,4-difluorophenyl), that is, the 2nd and 4th positions of the phenyl group are connected with one fluorine atom each. The introduction of fluorine atoms can significantly change the lipophilicity, electron cloud distribution and metabolic stability of compounds.
At the 3rd position of the pyrimidine ring, it is connected to (((3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydropyrimidine-3-yl) methyl), which further enriches the complexity and spatial structure of the molecule.
And the 4-chlorobenzoate part, the benzoate is formed by esterification of benzoic acid and alcohol, and is connected to a chlorine atom at the 4th position of the benzene ring. This part of the structure also has an important impact on the overall properties of the compound, such as affecting its solubility, interacting with receptors, etc.
Such a complex structure, the parts cooperate with each other, endowing the compound with unique physical, chemical and biological activities.
What are the main uses of (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydrofuran-3-yl) methyl 4-chlorobenzenesulfonate
(3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydropyrrole-3-yl) methyl 4-chlorobenzenesulfonate, which is often used as a key intermediary in the field of pharmaceutical synthesis. When creating specific types of drugs, it can be used as a basic module for building an active molecular framework.
In the development of Guanfu drugs, the synthesis of many antibacterial and antifungal agents often relies on this compound as a starting material. In the case of antifungal drugs, through a carefully designed reaction process, it can be combined with specific functional groups to create new drugs with high selective inhibitory activity against fungi. The triazolyl and fluorophenyl groups contained in its structure endow the compound with unique physicochemical properties and biological activities, which is conducive to its combination with specific targets in fungal cells, blocking key metabolic pathways of fungi, and achieving the effect of inhibiting or even killing fungi.
Furthermore, in the field of pharmaceutical chemistry research, this compound is also an important tool for exploring the relationship between structure and activity. By ingeniously modifying its structure, such as changing the type, location and quantity of substituents, researchers can gain in-depth insight into the impact of structural variation on biological activity and pharmacokinetic properties. This can accurately optimize the design of drug molecules, improve the efficacy and safety of drugs, and pave the way for the development of clinical drugs.
In the field of organic synthetic chemistry, (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydropyrrole-3-yl) methyl 4-chlorobenzenesulfonate is often involved in the construction of complex organic molecules due to its unique structure. It can react with a variety of nucleophiles to form carbon-carbon bonds or carbon-heteroatomic bonds, expand the structural diversity of organic molecules, and provide an effective strategy for the synthesis of novel organic materials and bioactive molecules.
What is the synthesis method of (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydrofuran-3-yl) methyl 4-chlorobenzenesulfonate
To prepare\ (3S, 5R) -5- ((1H - 1,2,4 - triazole - 1 - yl) methyl) -5- (2,4 - difluorophenyl) tetrahydroimidazole - 3 - yl) methyl 4 - chlorobenzenesulfonate\), you can follow the following ancient method:
Take an appropriate amount of\ (2,4 - difluorobenzaldehyde\) first, place it in a clean reactor, add a certain amount of specific organic solvents, such as anhydrous ethanol, to form a uniform solution. Then, a nitrogen-containing heterocyclic compound, namely\ (1,2,4-triazole\), is slowly added, and an appropriate amount of basic catalyst, such as potassium carbonate, is added. Under this mild heating condition, it is fully reacted, which takes about several hours (several hours). This step aims to construct a preliminary structure containing triazole groups.
After the previous reaction is completed, cool down to room temperature, add specific halogenated hydrocarbons, such as\ (3- (halomethyl) -5- (2,4 -difluorophenyl) tetrahydroimidazole\) derivatives containing suitable halogen atoms (such as bromine or chlorine), and continue to heat and stir to cause nucleophilic substitution. This process requires fine regulation of the reaction temperature and time, which takes about several hours to ensure that the reaction is complete and the key carbon-nitrogen bond is formed. The product containing the target partial structure is initially obtained.
Subsequently, the resulting product is separated and purified by a series of methods, such as column chromatography, to obtain a pure intermediate. Take this intermediate, place it in another reactor, add\ (4-chlorobenzenesulfonyl chloride\), and add an appropriate amount of acid binding agent, such as triethylamine, and react at a suitable temperature for several hours. This step is intended to introduce\ (4-chlorobenzenesulfonate\) group.
After the reaction is completed, impurities are removed by extraction, washing, drying and other post-treatment processes. Finally, by recrystallization, the type of solvent and temperature are carefully adjusted to obtain a pure\ (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydroimidazole-3-yl) methyl 4-chlorobenzenesulfonate\) product. Careful operation and close monitoring are required at each step of the reaction to ensure the purity and yield of the product.
What are the physical and chemical properties of (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydrofuran-3-yl) methyl 4-chlorobenzenesulfonate
(3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydroimidazole-3-yl) methyl 4-fluorobenzoate, which is an organic compound. Its physical and chemical properties are quite critical, related to its application in various fields.
Looking at its physical properties, it may be solid under normal circumstances, but the specific properties are also affected by factors such as crystallization conditions. Melting point is the temperature at which a substance changes from solid to liquid state. The melting point of this compound may be in a specific range due to the characteristics of its molecular structure, and this value is of great significance for its purification and preparation process. Solubility is also an important property. It varies in solubility in different solvents, and it dissolves differently in water and organic solvents such as ethanol and dichloromethane. This property affects its dispersion and transfer in the reaction system and drug delivery system.
When it comes to chemical properties, the molecule contains 1,2,4-triazole, benzene ring, ester group and other functional groups. 1,2,4-triazole groups have certain basic properties and can participate in acid-base reactions. They can also complex with metal ions to form complexes and expand their applications in the fields of materials science and catalysis. Ester groups have hydrolytic properties. Under acidic or basic conditions, hydrolysis reactions will occur to generate corresponding acids and alcohols. This property needs to be considered in terms of drug metabolism and environmental degradation. The presence of benzene ring endows the molecule with certain stability and conjugation effect, which affects its electron cloud distribution and reactivity, so that it can participate in electrophilic substitution and other reactions, such as halogenation, nitrification, etc., providing the possibility for its chemical modification, which is conducive to the development of new derivatives to meet different application needs.
How competitive is (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydrofuran-3-yl) methyl 4-chlorobenzenesulfonate in the market?
Today, there is a product named (3S, 5R) -5- ((1H-1,2,4-triazole-1-yl) methyl) -5- (2,4-difluorophenyl) tetrahydroimidazole-3-yl) methyl 4-chlorobenzenesulfonate. This product is in the market, what is its competitiveness?
I look at it, this is a product of fine chemicals, and in the state of market competition, it is related to many factors. The first is function. If it can show unique effects in specific fields, such as medicine, pesticides, etc., it can cure diseases and save people, or protect farmers and increase production, it must have its place and strong competitiveness.
Furthermore, it depends on the quality. High quality, less impurities, good stability, will be favored by users and stand out in the industry.
Cost is also the key. If you can refine the production process, reduce its cost, and enter the market at a reasonable price, it will be easier to win market share.
Looking at market supply and demand, if this product is just what the market needs, the supply is in short supply, and it is very competitive.
However, there is competition in the market, and there are no shortage of competitors. If there are similar products in the same industry, or newer and better products, it will also pose challenges. Therefore, in order to enhance its competitiveness, it is necessary to invest in research and development, quality, cost, and marketing in order to gain a foothold in the city and gain a place.