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What is the chemical structure of (2R, 3R) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol methanesulfonate?
(2R, 3R) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol acetal, which is an organic compound. The analysis of its chemical structure, let me explain in detail.
In this compound, (2R, 3R) indicates that the configuration of No. 2 and No. 3 carbon atoms in this compound is the R configuration. The determination of this configuration is based on the priority of the atoms or groups attached to the chiral carbon atoms, and is determined according to specific rules.
2- (2,4-difluorophenyl), which means that a 2,4-difluorophenyl is connected to the second carbon atom of the main chain. In this phenyl group, the 2nd and 4th positions of the benzene ring are replaced by fluorine atoms, respectively. The benzene ring has a six-membered ring structure with special stability and electronic effects. The introduction of fluorine atoms will have a significant impact on the physical and chemical properties of the molecule, such as changing the polarity and lipophilicity of the molecule.
1- (1H-1,2,4-triazole-1-group), that is, the first carbon atom of the main chain is connected to 1H-1,2,4-triazole-1-group. 1,2,4-triazole is a five-membered heterocycle containing three nitrogen atoms, which has certain alkaline and coordination ability. The nitrogen atom at the first position is connected to the main chain, and the existence of the triazole ring also endows the molecule with unique chemical activity.
2,3-butanediol acetal reveals that the main chain is butanediol through acetal reaction. Butanediol has four carbon atoms, and the 2,3 carbon atoms participate in the formation of the acetal structure. The acetal structure is generally stable to bases and can be hydrolyzed under acidic conditions. This structural characteristic affects the stability and reactivity of the compound.
The chemical structure of this compound is composed of different groups, and the interaction of each group gives it unique chemical and physical properties. It may have important research and application value in the fields of organic synthesis and medicinal chemistry.
What are the main physical properties of (2R, 3R) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol methanesulfonate?
(2R, 3R) 2- (2,4-dichlorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol. The main physical properties of this substance are as follows:
Its appearance is often white to light yellow crystalline powder with fine texture. The melting point is relatively specific temperature range, which has a significant impact on its state maintenance and related reaction processes under different conditions. The specific value of the melting point fluctuates due to subtle factors such as purity, but it is roughly within a certain range, which makes the substance mostly stable in a solid state at conventional ambient temperatures.
The solubility of this substance in water is low, which means that it is more difficult to disperse and dissolve in aqueous systems. However, in some organic solvents such as ethanol and acetone, it exhibits relatively good solubility and can be miscible with these organic solvents in a certain proportion. This solubility characteristic determines that the rational selection of organic solvents is crucial when extracting, separating or reacting them.
Its density also has a specific value. Density is one of the inherent properties of substances, and it has important guiding significance for the selection of containers and the measurement of materials in the actual production, storage and transportation process.
In addition, (2R, 3R) 2- (2,4-dichlorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol has relatively good stability. Under normal temperature, humidity and light conditions, it can maintain its own chemical structure and properties for a certain period of time, reducing the risk of deterioration caused by environmental factors. However, under extreme conditions such as high temperature, strong acid and strong alkali, its structure may change, which may affect its performance.
What are the applications of (2R, 3R) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol methanesulfonate in the field of medicine?
(2R, 3R) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol ester has a crucial application in the field of medicine.
In the field of antifungal drugs, this compound has shown excellent efficacy. Due to the raging fungi, it often causes many diseases and endangers health. And (2R, 3R) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol ester can precisely act on specific targets of fungi, interfere with their normal metabolism and growth and reproduction process, and then curb the spread of fungi, providing an effective way for antifungal treatment. Many clinical practices have shown that drugs made with this as the core ingredient have good curative effects on common fungal diseases such as candida infection and aspergillus infection, which can significantly relieve the symptoms of patients and help them recover.
Furthermore, in the field of immunomodulatory drugs, it has also emerged. The human immune system is related to the overall health. When the immune system is unbalanced, diseases are easy to take advantage of. This compound can regulate the activity and function of immune cells and return the immune system to a state of balance. Whether it is autoimmune diseases caused by excessive immunity, or repeated infections caused by low immunity, (2R, 3R) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol esters have the potential to provide new ideas and methods for the treatment of such diseases by regulating the immune mechanism, helping medical research to continue to advance in this field and bringing more hope to patients.
What is the synthesis method of (2R, 3R) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol methanesulfonate?
To prepare\ ((2R, 3R) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol ester\), it can be done according to the following ancient method.
First, a suitable starting material is obtained through many delicate transformations. First, a substrate containing a specific functional group is taken, and under prudent conditions, it is met with a reagent with corresponding activity. For example, a compound containing difluorophenyl and a reagent containing triazolyl are used in a specific solvent, assisted by a suitable temperature and catalyst, to promote nucleophilic substitution and the like, so that difluorophenyl and triazolyl are named, and the key intermediate is initially formed.
Then, the intermediate is performed again. Choose a suitable oxidation or reduction method to precisely regulate the transformation of its functional groups. A mild oxidizing agent can be used to moderately oxidize the group at a specific position, and then according to the needs, or a reducing agent can be used to adjust it to generate the required hydroxyl and other functional groups. In the process of generating hydroxyl groups, it is necessary to pay attention to the stereochemistry of the reaction. Special catalysts or chiral additives can be used to ensure the formation of the desired\ ((2R, 3R) \) configuration.
When the key functional groups are in place, the esterification work is carried out. Select the appropriate acid and alcohol, with the help of the condensing agent, in the appropriate reaction environment, esterify it, and convert the hydroxyl group into an ester group, and finally obtain\ ((2R, 3R) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol ester\). Each step requires careful inspection of the reaction conditions, such as temperature, pH, reaction time, etc. A slight difference in the pool can easily lead to impure products or low yields. When preparing, as the ancient method says, be careful and study step by step to achieve success.
What is the stability of (2R, 3R) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2,3-butanediol methanesulfonate?
The stability of (2R, 3R) - 2 - (2,4 - dichlorophenyl) - 1 - (1H - 1,2,4 - triazole - 1 - yl) - 2,3 - butanediol acetal is related to many factors, just like the operation of all things is checked and balanced by various forces.
Among this compound, its molecular structure is the key to affecting the stability. On the benzene ring, the existence of dichlorine atoms, due to its strong electronegativity, has a great impact on the distribution of electron clouds, like throwing stones on the surface of a calm lake, causing ripples. This changes the density of the electron cloud of the benzene ring and affects the stability of the chemical bonds connected to it. And 1,2,4-triazole-1-base, with its unique conjugate structure, also participates in the interaction of electronic clouds, just like playing a unique music note in a complex movement. The conjugate effect can reduce the energy of molecules, just like finding a more stable habitat, thereby improving the stability of compounds.
Furthermore, the spatial hindrance factor should not be underestimated. The arrangement of 2,4-dichlorophenyl and 1,2,4-triazole-1-base in space is like the placement of various components in a building, which hinders or synergizes with each other. A reasonable spatial layout can protect molecules from external disturbances and maintain stability, otherwise it may cause instability.
Environmental factors also play a role in its stability. As the temperature increases, the thermal movement of molecules intensifies, just like a restless crowd, and the originally stable structure may be broken. And humidity, if water molecules participate in it, may form hydrogen bonds with compounds, or initiate hydrolysis reactions, just like a subtle chemical reaction chain is triggered, changing the original stability of compounds.
Under light, if photon energy is absorbed by the compound, it may cause electron transitions, break the original electron cloud balance, and damage the stability. Therefore, the stability of this compound requires comprehensive consideration of structural, spatial resistance, and environmental factors in order to gain in-depth insight, such as tearing off cocoons and exploring the mysteries.
