Chemical Name | 3-(6-chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) |
Chemical Name | 3-(6-chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) |
Chemical Name | 3-(6-chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) |
Chemical Name | 3-(6-chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride (1:1) |
Molecular Formula | C16H15Cl2F3N5O·HCl |
Molecular Weight | 448.60 (approximate, considering the hydrochloride salt) |
Appearance | Solid (usually, depending on purity and conditions) |
Solubility | Solubility characteristics would depend on the solvent; may be soluble in some organic solvents and polar solvents to varying degrees |
Pka | Relevant acidic/basic groups would have characteristic pKa values, which would affect its speciation in solution |
Melting Point | Specific melting point value would be determined experimentally |
Boiling Point | Boiling point data would be obtained through experimental methods; decomposition may occur before boiling in some cases |
Density | Density would be experimentally determined, influenced by the solid-state packing of the molecules |
Stability | Stability can be affected by factors like temperature, light, and humidity; may react with certain substances over time |
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 the chemical structure analysis of 3- (6-chloro-5-fluoro-4-pyrimidinyl) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2-butanol hydrochloride (1:1). Looking at its name, it can be seen that this compound has a complex structure and is composed of many parts.
Its core part is pyrimidinyl, difluorophenyl and triazolyl. These three are connected to each other to build the basic framework of the whole compound. Among them, the pyrimidine group has chlorine and fluorine atoms, which endows the part with specific chemical properties and reactivity. The presence of difluorophenyl groups further adjusts the overall electron cloud distribution of the compound, affecting its physical and chemical properties. And triazolyl, as a heterocyclic structure, also has a significant effect on the properties of the compound.
Furthermore, the butanol structure is connected to the above-mentioned groups, adding hydrophilic parts to the compound, which makes it change its solubility in different solvents. Finally, the hydrochloric salt form indicates that the compound binds to hydrochloric acid, which not only affects the acidity and alkalinity of the compound, but also may have a profound impact on its stability and biological activity.
In summary, the various parts of the chemical structure of this compound cooperate with each other to jointly determine its unique physicochemical properties and potential application value, which may be of great significance in the fields of organic synthesis and drug development.
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), which is mostly used in the field of medicine and is a key intermediate for the creation of new antifungal drugs.
In the process of viewing medicine, antifungal drugs have always been valued by doctors. Fungal infections, or lightly disturb the body surface, cause ringworm diseases, etc.; or re-invade the viscera, endangering life. In the past, antifungal drugs were either ineffective or had severe toxic and side effects. Therefore, the development of efficient and safe new antifungal drugs is a top priority in the medical field.
This compound, with its unique chemical structure, has emerged in the antifungal pharmacological mechanism. After pharmacological studies, it can precisely act on specific fungal targets, or interfere with the synthesis of fungal cell membranes, or hinder the metabolism of fungal nucleic acids, so that fungal growth and reproduction are restricted, thus demonstrating the antifungal effect. And compared with the old drugs, its selectivity is better, and it has less impact on normal human cells, which is expected to reduce adverse drug reactions.
Therefore, it is like Venustech in the development of new antifungal drugs, opening up new paths for doctors, leading the revolution of antifungal treatment, and benefiting many patients affected by fungal infections.
What is the preparation method 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), the method is as follows:
Take an appropriate amount of 2,4 - difluoroacetophenone first, place it in a reaction kettle, and dissolve it in an appropriate organic solvent, such as dichloromethane. Under low temperature stirring, slowly add alkali-containing reagents, such as tetrahydrofuran solution of sodium hydride, which can form 2,4-difluoroacetophenone into carbon anions.
After the reaction system is stabilized, slowly add 6-chloro-5-fluoro-4-pyrimidinyl halides, such as 6-chloro-5-fluoro-4-pyrimidinyl bromide, which undergo nucleophilic substitution reaction with the above-mentioned carbon anions to form an intermediate product containing pyrimidinyl groups and difluorophenyl groups. Next, a 1,2,4-triazole reagent is introduced into the reaction solution, and in the presence of a suitable catalyst such as potassium carbonate, heating and stirring are used to further react 1,2,4-triazole with the intermediate product to form a triazole-containing compound.
Subsequently, the compound reduction step, optional suitable reducing agent, such as sodium borohydride, in an alcoholic solvent such as methanol, the ketone group is reduced to an alcoholic hydroxyl group, to give 3- (6 - chloro - 5 - fluoro - 4 - pyrimidinyl) - 2 - (2,4 - difluorophenyl) - 1 - (1H - 1,2,4 - triazole - 1 - yl) - 2 - butanol.
Finally, the alcohol product is dissolved in an appropriate amount of organic solvent, such as ether, into dry hydrogen chloride gas, until the reaction is complete, the alcohol and hydrogen chloride into a salt, to obtain 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 reaction process needs to be closely monitored, and the reaction process needs to be controlled by means of thin-layer chromatography, and each step of the reaction needs to be purified by extraction, washing, drying, column chromatography, etc., in order to improve the purity of the product.
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.
First, let's talk about the appearance, usually white to white-like crystalline powder, with a fine texture, like snow falling in the early winter, pure and shiny. Looking at it, it seems to contain the order and mystery of the microscopic world. < Br >
In terms of solubility, it has good solubility in organic solvents such as methanol and ethanol, just like fish entering water, it can disperse and fuse quickly; however, the solubility in water is slightly inferior, just like those who are not good at swimming, and it is slightly cramped in water.
In terms of melting point, it is about a certain temperature range. This temperature is the key node of its transition from solid to liquid state, just like a watershed in the transformation of material form, marking a major change in the intermolecular force.
In terms of stability, under conventional conditions, it is relatively stable, just like a stable old man, and it is not alarmed. In case of strong acid, strong alkali or high temperature environment, its structure may change. In case of strong fire, although hard, it also changes. < Br >
Its pH, due to the hydrochloride component, the aqueous solution is acidic, like a clear acid spring in the mountains, with a specific pH range.
The physical and chemical properties of this compound are of great significance for its application in the chemical and pharmaceutical fields. For example, in pharmaceutical synthesis, its solubility, stability and other properties are related to the drug preparation process and efficacy; in chemical production, its melting point, pH and other properties affect the control of reaction conditions and product quality.
What is the market outlook for 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 today's world, this 3- (6-chloro-5-fluoro-4-pyrimidinyl) -2- (2,4-difluorophenyl) -1- (1H-1,2,4-triazole-1-yl) -2-butanol hydrochloride (1:1) has attracted much attention in the market prospect. This compound may have potential uses in many fields such as pharmaceutical research and development.
In the past, many new compounds have been discovered and their value has gradually become apparent. This substance may have unique effects in the research direction of antifungal and other drugs. However, its market prospect is also influenced by many factors.
The first to bear the brunt, the progress of research and development is the key. If it can be successfully advanced in pharmacological research, clinical trials and other links, and its efficacy and safety are confirmed, it is expected to be favored by the pharmaceutical market. However, the road of research and development is full of thorns, and problems are often encountered, such as drug metabolism characteristics, side effects control, etc., which need to be carefully studied.
Furthermore, market competition cannot be ignored. Today's pharmaceutical research and development is booming, and drugs with similar effects may emerge in an endless stream. To emerge in this competitive situation, one must have unique advantages, or better efficacy, or lower cost.
In addition, the impact of regulations and policies cannot be ignored. Medicine is related to people's livelihood, and countries have strict regulations. If this compound wants to be listed, it must follow the rules and pass strict approval.
In summary, 3 - (6 - chloro - 5 - fluoro - 4 - pyrimidinyl) - 2 - (2,4 - difluorophenyl) - 1 - (1H - 1,2,4 - triazole - 1 - yl) - 2 - butanol hydrochloride (1:1) has potential promise, but its market prospects still need to be tested by many tests such as research and development breakthroughs, competition response and regulatory compliance.