2r 3r 3 2 5 Difluorophenyl 3 Hydroxy 2 Methyl 4 1 2 4 Triazol 1 Yl Thiobutyramide
Fluorine Difluoride Fluorobenzene Fluorobenzyl Trifluorotoluene
(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-[1,2,4]triazol-1-yl-thiobutyramide
Chemical Formula C14H13F2N5O2S
Molecular Weight 353.35
Appearance Solid (usually)
Melting Point Specific value would require experimental determination
Solubility In Water Low solubility, likely hydrophobic due to non - polar groups
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
Pka Relevant acidic or basic functional groups' pKa values would need specific analysis
Logp Positive value indicating lipophilicity due to fluorophenyl and alkyl groups
Crystal Structure Depends on crystallization conditions, would need X - ray diffraction for determination
Chemical Formula C14H14F2N4O2S
Molecular Weight 340.35
Iupac Name (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-[1,2,4]triazol-1-yl-thiobutyramide
Solubility Unknown (from name)
Density Unknown (from name)
Chemical Name (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-[1,2,4]triazol-1-yl-thiobutyramide
Molecular Formula C14H14F2N4OS
Molecular Weight 324.35
Appearance Unknown
Melting Point Unknown
Boiling Point Unknown
Solubility Unknown
Density Unknown
Pka Unknown
Logp Unknown
Chemical Formula C13H12F2N4O2S
Molecular Weight 326.32
Iupac Name (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-[1,2,4]triazol-1-yl-thiobutyramide
Stereochemistry 2R,3R configuration
FAQ

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

This compound is a specific substance in the field of organic chemistry, and its naming follows the naming rules of organic chemistry. From the name, it can be seen that the core structure of this compound is a [1,2,4] triazine-1-one skeleton containing a specific substituent.

From the perspective of substituents, at specific positions in the (2R, 3R) configuration, there are substituents such as 3- (2,5-difluorophenyl), 3-methoxy, and 2-methyl. The existence of these substituents significantly affects the physical and chemical properties of the compound.

For example, the introduction of fluorine atoms enhances the lipophilicity and stability of compounds, while the introduction of methoxy and methyl groups affects the molecular spatial structure and electron cloud distribution, which in turn affects the interactions between compounds and other molecules.

Although I do not have the ability to draw chemical structures, chemical drawing software, such as ChemDraw, can follow the nomenclature to accurately connect each atom with chemical bonds to draw the (2R, 3R) -3- (2,5-difluorophenyl) -3-methoxy-2-methyl-4 - [1,2,4] triazine-1-one The exact chemical structure. The structural characteristics of this compound are of great significance for exploring its potential applications in medicinal chemistry, materials science and other fields.

What are the main uses 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-ylcarbonyl butyric acid has many important uses in the field of medicine. This compound plays a key role in the development of antifungal drugs. Due to its specific chemical structure, it can interfere with the key physiological processes of fungi, thereby hindering the growth and reproduction of fungi. For example, in the treatment of infectious diseases caused by fungi such as Candida albicans, it can precisely act on the targets in fungal cells, and destroy the synthesis of fungal cell walls or cell membranes by inhibiting the activity of specific enzymes, so as to achieve good therapeutic effects.

At the same time, it also shows great potential in the development of immunomodulatory drugs. It can have an impact on the body's immune system, or enhance the activity of immune cells, or regulate the secretion of immune factors, so as to improve the body's immune function and help the body fight various diseases. Moreover, in some innovative drug research and development projects, as a key lead compound, researchers use it as a basis for structural modification and optimization, hoping to create new drugs with better efficacy and fewer side effects. In the development process of modern medicinal chemistry, this compound is gradually playing an increasingly critical role with its unique chemical properties and biological activity, bringing more good news to human health.

What is the synthesis 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-yl acetone\), the method is as follows:
Take an appropriate amount of\ (2,5-difluoroacetophenone\) and place it in a reactor, cool it at low temperature to about\ (-10\) degrees Celsius, and slowly add dropwise a solution containing a specific base. This base needs to be precisely prepared according to the reaction scale and conditions. When adding dropwise, pay close attention to the temperature of the reaction system and do not make it fluctuate widely. After the alkali is dripped, keep it at low temperature and stir for an hour to make the reaction sufficient.
Then, the metered methyl triazole aldehyde is added in sequence. The process should be smooth and slow. After adding, it is gradually warmed to room temperature, and the reaction is continuously stirred for about six hours. During this period, the reaction progress should be monitored by thin-layer chromatography at regular intervals. When the raw material point almost disappears, it is considered that this step of the reaction has reached the expected level.
After the reaction is completed, carefully adjust the pH of the reaction solution to a weak acidity with a dilute acid solution. At this time, the product gradually precipitates from the solution. The mixture is moved to a separation funnel, extracted several times with an organic solvent such as ethyl acetate, combined with the organic phase, and then dried with anhydrous sodium sulfate.
After that, the organic solvent is removed by vacuum distillation to obtain a crude product. The crude product still contains impurities and needs to be refined by column chromatography. Appropriate silica gel columns and eluents are selected. The proportion of eluents also needs to be carefully adjusted. After elution, collection, concentration and other steps, a pure ((2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4-[ 1,2,4] triazole-1-ylacetone\) is finally obtained. Its purity can reach the expected standard after testing. This preparation method requires fine operation and strict control of conditions to obtain satisfactory results.

What are the physicochemical 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 is a compound with unique physicochemical properties.

Among its physical properties, the appearance is usually white to off-white crystalline powder, due to the orderly arrangement of molecules and the action of light. The melting point is in a specific range, such as 150 - 155 ° C, the intermolecular force and lattice energy are determined, and the lattice is destroyed when heated to this temperature. In terms of solubility, it is slightly soluble in water. Due to the large difference between the polarity of water molecules and the polarity of the compound, it is not conducive to the formation of hydrogen bonds and interactions. It is soluble in some organic solvents, such as dichloromethane, N, N-dimethylformamide. Due to the principle of similar phase dissolution, it matches the polarity of these organic solvents or can form intermolecular forces.

Chemically, hydroxyl groups are active and can participate in esterification reactions. React with carboxylic acids to form esters under acid catalysis. Because hydroxyl oxygen atoms have lone pairs of electrons, they are vulnerable to electrophilic attack. The nitrogen atom of triazolyl groups has lone pairs of electrons, which shows a certain alkalinity and can react with acids to form salts, enhancing the water solubility and stability of compounds. In addition, the compound contains multiple reactive check points, which can undergo reactions such as substitution and addition under different conditions, synthesize new derivatives, and expand its application in medicine, pesticides and other fields.

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

There is now a product named (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4-[ 1,2,4] triazole-1-yl carbonyl butyric acid. Its market prospects are as follows:

This product is in the field of pharmaceutical and chemical industry, or has potential opportunities. With the advance of science and technology, the demand for novel compounds in pharmaceutical research and development is increasing. This compound has a unique structure and contains groups such as difluorophenyl, hydroxy, methyl and triazolyl carbonyl butyric acid, or shows specificity in drug activity. < Br >
In the direction of antimicrobial drug research and development, it may be able to inhibit the growth and reproduction of specific bacteria due to its structural characteristics. The introduction of difluorophenyl may enhance its affinity with bacterial targets, and the triazole structure often plays a key role in the construction of antimicrobial drugs.

In the exploration of antiviral drugs, or with its special group combination, it interferes with the virus replication process. For example, hydroxyl groups can participate in a variety of biochemical reactions, or affect the synthesis of viral proteins, nucleic acid replication, etc.

However, its market path is not smooth. Research and development costs are the top challenge. Synthesizing this complex structure compound may require high-end equipment and special reagents, which is expensive. And the road to approval of new drugs is long and rigorous, and it needs to go through multiple rounds of clinical trials to confirm its safety and effectiveness before entering the market.

The competition in the same industry cannot be ignored. There are many global pharmaceutical R & D institutions, all of which are working on the research and development of new compounds. If you want to stand out, you need to make more efforts in research and development efficiency, cost control, and drug efficacy advantages.

Overall, (2R, 3R) -3- (2,5-difluorophenyl) -3-hydroxy-2-methyl-4 - [1,2,4] triazole-1-ylcarbonyl butyric acid has potential, but many difficulties and obstacles need to be overcome in order to achieve good results in the market.