What is the chemical structure of (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-ylthiobutylamide

The chemical structure of (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-yl carbonyl butyric acid is a complex and delicate structure in the field of organic chemistry.

Looking at the whole, this compound is based on butyric acid as the parent nucleus, and many functional groups are introduced at specific positions on the butyric acid chain. At the 2nd and 3rd positions, it presents the (R) configuration, which has a profound impact on its chemical activity and stereochemical properties. Above the 3rd position, the hydroxyl group stands tall, and the characteristics of the hydroxyl group are active, which is easy to participate in various chemical reactions, such as esterification and oxidation.

At the same time, there is a special group connected to the 3-position, namely (2,5-difluorophenyl). The introduction of fluorine atoms significantly changes the electron cloud density of the benzene ring due to the high electronegativity of fluorine, which in turn affects the physical and chemical properties of the molecule. Furthermore, the addition of methyl at the 2-position, although the methyl is relatively simple, can affect the steric resistance of molecules and have subtle effects on intermolecular interactions.

At the 4-position of the butyric acid chain, the complex functional group [1,2,4] triazole-1-yl carbonyl is connected to it. Triazole rings are structurally stable and have unique electronic properties. They often play an important role in pharmaceutical chemistry. They can participate in interactions such as the formation of hydrogen bonds between molecules and enhance the ability of compounds to bind to targets. As a common functional group, carbonyl groups have electrophilicity and can also participate in many chemical reactions, contributing greatly to the overall chemical activity of the compound.

So, the chemical structure of (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-yl carbonyl butyric acid, the functional groups interact and cooperate to shape the unique chemical properties and potential application value of the compound.

What are the main physical properties of (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-ylthiobutylamide

(2R, 3R) - 3 - (2,5 - difluorophenyl) - 3 - hydroxy - 2 - methyl - 4 - [1,2,4] triazole - 1 - carbonyl butyric acid, this compound has a variety of important physical properties.

In normal condition, it is mostly white to off-white crystalline powder, which is conducive to storage and transportation, and the powder state increases its specific surface area. When participating in chemical reactions, it can more fully contact with other reactants and speed up the reaction process.

Its melting point is in a specific range, and after accurate measurement, it is roughly in the range of [X] ℃ - [X] ℃. Melting point is an important physical constant of a substance, which can not only be used to identify the purity of the compound, but also is of great significance to the study of its stability and phase change under different temperature environments. When the external temperature reaches the melting point, the compound gradually melts from solid to liquid, and the intermolecular forces change, and the microstructure rearranges.

In terms of solubility, it shows good solubility in organic solvents such as ethanol and dichloromethane. In ethanol, with the increase of temperature, the solubility increases. Due to the increase of temperature, the thermal motion of the molecule intensifies, and the interaction between the solvent and the solute molecule is enhanced, which is easier to overcome the attractive force between the solute molecules and achieve dissolution. In water, the solubility is relatively small, which is due to the difference in the degree of matching between the polarity of the compound molecule and the polarity of the water molecule. Some of the molecules are hydrophobic, resulting in weak interaction

The compound has a density of [X] g/cm ³. The density reflects its unit volume mass, which is crucial for calculating the space occupied and concentration in the solution system. In the synthesis and preparation of preparations, density data can help determine the exact dosage to ensure the stability of product quality and performance.

In addition, it has a certain stability, but in the case of extreme chemical environments such as strong oxidizing agents and strong acids and bases, the structure will be affected. Under normal storage conditions, it should be placed in a dry and cool place, avoiding light and high temperature to prevent decomposition, oxidation and other reactions, and maintain its chemical structure and physical properties stable.

What is the preparation method of (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-ylthiobutylamide

To prepare (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4-[ 1,2,4] triazole-1-ylcarbonyl butyric acid, the following method can be followed.

First take appropriate starting materials, such as benzene derivatives with specific substituents and compounds containing triazole structures. In a suitable reaction vessel, under mild reaction conditions, an organic base is used as a catalyst to carry out condensation reaction between the two. This process requires attention to the control of reaction temperature and time. If the temperature is too high or the time is too long, the side reactions may increase, which will affect the purity and yield of the product. < Br >
After the condensation reaction is completed, the reaction mixture is preliminarily treated, and the unreacted raw materials and by-products are removed through extraction and washing. Subsequently, the product is further purified by column chromatography or recrystallization, and a relatively pure intermediate can be obtained.

Next, a specific functional group conversion reaction is carried out on the intermediate. In a suitable reaction system, suitable reagents are added to make it undergo hydroxyl modification and other reactions to construct the key structure of the target product. This step also requires fine regulation of the reaction conditions to ensure that the reaction proceeds in the expected direction.

After the final product is formed, its purity and structure are tested in detail by high performance liquid chromatography, nuclear magnetic resonance and other analytical methods to confirm that the obtained product is the required (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4 - [1,2,4] triazole-1-yl carbonyl butyric acid. The whole preparation process requires fine operation by the experimenter and close monitoring of each reaction link to obtain satisfactory results.

(2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-ylthiobutylamide is used in which fields

(2R, 3R) - 3 - (2,5 - difluorophenyl) - 3 - methoxy - 2 - methyl - 4 - [1,2,4] triazole - 1 - carbonyl butyric acid, this compound is used in the field of medicine, pesticides, and materials science.

In the field of medicine, due to its unique chemical structure, it has potential therapeutic effect on specific diseases. Some compounds containing triazole and fluorophenyl structures have inhibitory activity against some bacteria, or can be developed as antibacterial drugs. By precisely acting on specific targets of bacteria, they interfere with the metabolism and reproduction of bacteria, and then achieve the effect of treating infectious diseases. At the same time, it may have a regulatory effect on specific cell signaling pathways, or it can be used to develop anti-tumor drugs to inhibit the proliferation and metastasis of tumor cells.

In the field of pesticides, it may exhibit excellent bactericidal and insecticidal properties. Fluoride-containing groups endow it with good fat solubility, which is conducive to penetrating biofilms and enhancing the toxicidal effect on pests and pathogens. It may have inhibitory effects on common crop pathogens, such as powdery mildew and rice blast, etc., reducing disease damage to crops and improving crop yield and quality. For some pests, it may interfere with their nervous system or physiological metabolic processes to achieve efficient insecticidal.

In the field of materials science, it can be used as a functional material to build motifs. Due to its structure, various groups can participate in chemical reactions, or can be used to synthesize materials with special optical and electrical properties. For example, the preparation of optoelectronic functional materials for organic Light Emitting Diode (OLED), solar cells and other devices, with its unique electronic structure, improve the photoelectric conversion efficiency and stability of the device.

What is the market prospect of (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-ylthiobutylamide?

(2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-yl carbonyl butyric acid, the market prospect of this product is related to many aspects.

Looking at its characteristics, this compound has a unique structure or specific biological activity. In the field of medicine, it can be used as a lead compound to develop new drugs. In today's pharmaceutical market, there is an urgent need for new drugs that can treat difficult diseases. If this compound can show significant pharmacological activities after research, such as antibacterial, anti-inflammatory, anti-tumor, etc., and has little toxic and side effects, it will be highly concerned by pharmaceutical companies and has broad market prospects.

In the field of pesticides, organic compounds with specific structures can often be developed as high-efficiency and low-toxicity pesticides. If this compound has inhibitory or killing effects on certain pests or plant pathogens, it will also occupy a place in the pesticide market in line with the development trend of green and environmentally friendly pesticides.

However, its market prospects also pose challenges. The synthesis process is complex and the cost remains high, which affects large-scale production and marketing activities. Furthermore, the research and development of new drugs or new pesticides requires a strict approval process, which takes a long time and costs a lot. During this period, technical problems and changes in regulations and policies may be encountered.

Overall, if we can overcome the synthesis problem, reduce costs, and prove its biological activity and safety through rigorous research, (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4- [1,2,4] triazole-1-yl carbonyl butyric acid is expected to emerge in the pharmaceutical and pesticide markets and gain a good market prospect.