What is the chemical structure of 3- (6-chloro-5-fluoro-4-pyrimidinyl) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) -2-butanol hydrochloride (1:1)?

This is a rather complex organic compound named 3- (6-chloro-5-fluoro-4-pyrimidinyl) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2-butanol hydrochloride (1:1). The chemical structure of

is as follows:
has a backbone structure of one butanol at the beginning, and a (2,4-difluorophenyl) group is connected to the 2-position of butanol, and the 2-position and 4-position of the phenyl group are connected to a fluorine atom. The 1-position is connected to (1H-1,2,4-triazole-1-yl). The triazole ring is a five-membered heterocycle containing three nitrogen atoms, and is connected to butanol at the 1-position. In the 3-position connection (6-chloro-5-fluoro-4-pyrimidinyl), the pyrimidine ring is a six-membered heterocycle containing two nitrogen atoms, a 6-position chlorine atom, and a 5-position fluorine atom. The overall compound forms a salt with hydrochloric acid in a ratio of 1:1. This is because the compound contains basic groups, which can form salts with hydrochloric acid. This structure makes the compound have unique chemical and physical properties and may have specific uses in organic synthesis, pharmaceutical chemistry and other fields.

What are the main uses of 3- (6-chloro-5-fluoro-4-pyrimidinyl) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) -2-butanol hydrochloride (1:1)?

3- (6-chloro-5-fluoro-4-pyrimidinyl) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2 -butanol hydrochloride (1:1), this compound is a key compound in the field of pharmacy.

Looking at its structure, it fuses many specific groups to make it have unique chemical and biological activities. In the process of pharmaceutical research and development, this compound is often used as a key intermediate. With the synergy of pyrimidinyl, fluorophenyl and triazolyl, it may show significant pharmacological efficacy.

Numerous studies are based on it, dedicated to the creation of new antifungal and antibacterial drugs. Because the specific structure is in line with biological targets, it may interfere with the key metabolic pathways or biosynthetic processes of pathogens, achieving the purpose of inhibiting and killing pathogens.

In the field of agriculture, it also has potential application value. Or it can be developed as a new type of pesticide to prevent and control crop diseases, ensure the healthy growth of crops, and improve agricultural yield and quality. In conclusion, 3- (6-chloro-5-fluoro-4-pyrimidinyl) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2-butanol hydrochloride (1:1) is used in the fields of medicine and agriculture. With its unique structure, it has many possibilities for development and application, providing new opportunities for solving problems in related fields.

What are the preparation methods of 3- (6-chloro-5-fluoro-4-pyrimidinyl) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) -2-butanol hydrochloride (1:1)?

To prepare 3 - (6 - chloro - 5 - fluoro - 4 - pyrimidinyl) - 2 - (2,4 - difluorophenyl) - 1 - (1H - 1,2,4 - triazole - 1 - yl) - 2 - butanol hydrochloride (1:1), there are several methods.

One can be obtained by reacting the corresponding alcohol with hydrogen chloride gas. First take 3 - (6 - chloro - 5 - fluoro - 4 - pyrimidinyl) - 2 - (2,4 - difluorophenyl) - 1 - (1H - 1,2,4 - triazole - 1 - yl) - 2 - butanol appropriate amount, placed in a suitable reaction vessel, into the dry hydrogen chloride gas. This process needs to pay attention to the reaction temperature and time, usually in a low temperature environment, when the reaction is complete, the separation and purification methods, such as recrystallization, column chromatography, etc., can obtain a pure product.

Second, chlorine-containing reagents can also be used to react with corresponding alkoxides. First, 3 - (6 - chloro - 5 - fluoro - 4 - pyrimidinyl) - 2 - (2,4 - difluorophenyl) - 1 - (1H - 1,2,4 - triazole - 1 - yl) - 2 - butanol is made into an alkoxide, such as reacting with alkali metal hydroxides to form an alkoxide solution. Then slowly add suitable chlorine-containing reagents, such as thionyl chloride, phosphorus oxychloride, etc. The reaction process is closely monitored during the reaction. After the reaction is completed, after post-treatment, impurities can be removed to obtain the desired product.

Third, the target molecule can also be constructed by multi-step reaction with the help of organic synthesis path. First, 2,4-difluorobenzaldehyde is used as the starting material, and after reacting with suitable reagents, triazolyl and butanol structural fragments are introduced, and then chlorine and fluorine atoms are introduced into the pyrimidine ring through halogenation reaction, and finally the salt is obtained from 3- (6-chloro-5-fluoro-4-pyrimidinyl) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2-butanol hydrochloride (1:1). Although this path involves complex steps, it can precisely adjust the molecular structure to obtain high-purity products.

What are the physicochemical properties of 3- (6-chloro-5-fluoro-4-pyrimidinyl) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) -2-butanol hydrochloride (1:1)?

3- (6-chloro-5-fluoro-4-pyrimidinyl) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2 -butanol hydrochloride (1:1), this is an organic compound with specific physical and chemical properties.

Its properties may be crystalline powder, and its molecular structure contains a variety of groups, resulting in a certain stability. From the melting point point point point point, the specific structure gives a specific range of intermolecular forces, so it has a clear melting point, which can be used for identification and purification.

In terms of solubility, due to the presence of polar groups, it has a certain solubility in polar solvents such as methanol and ethanol. However, the molecule as a whole has a certain hydrophobicity. Due to the presence of halogen atoms such as fluorine and chlorine and aromatic rings, the solubility in water may be limited, and the solubility in organic solvents such as dichloromethane may be better.

In terms of spectral properties, infrared spectroscopy can show characteristic absorption peaks, such as hydroxyl (-OH) has a strong absorption peak at about 3200-3600 cm < ², reflecting the vibration of hydroxyl groups in the molecule; carbon-carbon double bond structures such as triazole ring, pyrimidine ring and benzene ring have characteristic absorption peaks at 1600-1700 cm < ², reflecting the expansion and contraction vibration of carbon-carbon double bonds in the ring. In nuclear magnetic resonance spectroscopy, hydrogen atoms in different chemical environments will peak at specific chemical shifts, which can be used to analyze the molecular structure and group connection. < Br >
In terms of thermal stability, it can remain stable within a certain temperature range. However, if the temperature is too high, the chemical bonds in the molecule may break due to high energy, triggering decomposition reactions.

The physical and chemical properties of this compound are closely related to its molecular structure, and these properties are of great significance for its applications in organic synthesis, drug development, and other fields.

What is the application prospect of 3- (6-chloro-5-fluoro-4-pyrimidinyl) 2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazol-1-yl) -2-butanol hydrochloride (1:1) in the market?

3- (6-chloro-5-fluoro-4-pyrimidinyl) -2 - (2,4-difluorophenyl) -1 - (1H-1,2,4-triazole-1-yl) -2 -butanol hydrochloride (1:1), this is a rather special chemical substance. In today's market environment, its application prospects are worth exploring.

In the past, many new chemical agents have found their place in specific fields. In terms of this, it may show unique potential in the field of pharmaceutical research and development. Because of the fluorine, chlorine and other atoms involved, as well as the structure of pyrimidine group, triazole group and other structures, often endow the compound with unique biological activity. Or it can be used for the development of drugs for specific bacteria, with its unique chemical structure, it can precisely act on the key targets of bacteria, in order to achieve the purpose of treating diseases.

Furthermore, in the field of pesticides, there is also the possibility of application. Because of its chemical structure characteristics, it may have bactericidal and insecticidal effects, and compared with traditional pesticides, it may have higher selectivity and environmental friendliness, which can not only effectively kill harmful organisms, but also reduce the negative impact on the environment, meeting the needs of the current green agriculture development.

However, its practical application also faces challenges. In order to apply it on a large scale, it is necessary to study its toxicological properties in depth to ensure that there is no significant harm to the human body and the environment. And the optimization of the preparation process is also the key, and it is necessary to reduce costs and improve productivity in order to gain an advantage in the market competition. In short, although there may be bumps in the road ahead, the application prospects of this substance are still broad, and it is worthy of further exploration by scientific research and industry.