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What is the chemical structure of this product 5- (difluoromethoxy) -2- {[ (3,4-dimethoxypyridin-2-yl) methyl] thio} -1H-benzimidazole?
This is a rather complex description of the chemical structure. In order to accurately draw its chemical structure, it is necessary to know the chemical nomenclature and structural representation. I shall follow the description of "5- (diethoxymethyl) -2- {[ (3,4-diethoxyphenyl) -2-yl] methyl} benzyl-1H-indole" and analyze it step by step.
First, the core structure is "1H-indole", which is a nitrogen-containing heterocyclic aromatic compound, which is formed by fusing a benzene ring with a five-membered nitrogen-containing heterocyclic ring.
"5- (diethoxymethyl) " means that at the 5th position of the indole ring, a diethoxymethyl group is connected. In this group, the central carbon atom is connected with two ethoxy groups (-OCH ² CH 😉) and one hydrogen atom.
"2- {[ (3,4-diethoxyphenyl) -2-yl] methyl} benzyl" This part is more complex. "Benzyl" is a benzyl group, that is, a benzene ring is connected to a methylene (-CH -2 -). The second position of this benzyl group is connected to {[ (3,4-diethoxyphenyl) -2-yl] methyl}. Among them, (3,4-diethoxyphenyl) means that the 3-position and 4-position of the benzene ring are each connected with an ethoxy group, and the 2-position of the phenyl group is connected with a methylene group, which is then connected to the 2-position of the benzyl group.
In this way, after gradual analysis, the chemical structure of the compound can be roughly outlined. However, it should be noted that accurate structure drawing may require the help of professional chemical drawing software to ensure the accuracy of details such as bond angles and atomic space arrangement. Although I describe the analysis process in detail in classical Chinese, the accurate presentation of the actual chemical structure still depends on professional tools and operations.
What are the physical properties of 5- (difluoromethoxy) -2- {[ (3,4-dimethoxypyridin-2-yl) methyl] thio} -1H-benzimidazole?
5 - (dihydroxymethyl) - 2 - {[ (3,4 -dimethoxybenzyl-2-yl) methyl] carbonyl} -1H -indolopyridine This substance has the following physical properties:
Viewed at room temperature, it often shows a specific state, or is a crystalline solid, with a white and pure color, like snow. Its melting point is quite critical. At a specific temperature, the state of matter gradually changes, and it melts from the solid state to the liquid state. This melting point is an important indicator for the identification of this compound.
Solubility is also its significant characteristic. In organic solvents, such as common ethanol and acetone, this substance exhibits good solubility, just like fish in water, which can be evenly dispersed; in water, its solubility is poor, and it is mostly suspended and difficult to blend.
In addition, its density also has characteristics. Compared with common organic compounds, it has its unique value, which is related to its distribution and behavior in various systems.
In addition, the stability of this substance cannot be ignored. Under normal conditions of normal temperature and pressure, protected from light and moisture, its chemical structure is quite stable and can maintain its inherent characteristics for a long time. However, under extreme conditions such as high temperature, strong acid and alkali, its structure may change and its properties will also change. The physical properties of this compound are of great significance in its synthesis, separation, purification and practical application, providing a key basis for relevant research and practice.
What is the main use of 5- (difluoromethoxy) -2- {[ (3,4-dimethoxypyridin-2-yl) methyl] thio} -1H-benzimidazole?
The main use of 5- (diethylamino) -2- {[ (3,4-diethylamino phenyl) -2-yl] carbonyl} -1H -indolopyrrole is that it has shown important value in the field of medicinal chemistry and organic synthesis.
In the field of pharmaceutical chemistry, this compound has a unique molecular structure, or can achieve precise docking with specific biological targets. For example, the functional groups such as diethylamino and carbonyl can interact with biological macromolecules such as proteins and enzymes by forming hydrogen bonds, electrostatic interactions, etc., which in turn affect the function of biological macromolecules. This makes the compound highly promising as a lead compound in the process of drug development. Studies have shown that indole compounds with similar structures have achieved results in the development of anti-tumor, antiviral, antidepressant and other drugs. Therefore, this compound is likely to make a contribution in the field of therapeutic drug development for the above diseases.
In the field of organic synthesis, 5- (diethylamino) -2- {[ (3,4-diethylamino phenyl) -2-yl] carbonyl} -1H -indolopyrrole can act as a precursor or intermediate for the synthesis of organic molecules with more complex structures and more specific functions due to their complex and unique structures. Multiple reaction check points in its structure, such as indole ring, carbonyl group, etc., can be modified and expanded by a series of organic reactions, such as nucleophilic substitution, electrophilic substitution, cyclization reaction, etc. Therefore, chemists can use this compound to construct a diverse library of organic molecules, providing rich structural units and synthesis strategies for materials science, total synthesis of natural products and other fields.
What are the synthesis methods of 5- (difluoromethoxy) -2- {[ (3,4-dimethoxypyridin-2-yl) methyl] thio} -1H-benzimidazole?
To prepare 5- (diethylamino) -2- {[ (3,4-diethylamino vinyl-2-yl) ethyl] sulfonyl} -1H-indolopyridine, the synthesis method is covered with several ends.
First of all, the preparation of raw materials needs to be carefully selected to make it pure and good. Diethylamino-related reagents, when used for refining, do not cause impurities to disrupt the reaction.
Reaction path 1, the compound containing diethylamino can first be condensed with the raw materials with vinyl and sulfonyl groups, with suitable catalysts, at appropriate temperatures and pressures. The choice of catalyst is related to the speed and rate of the reaction, and it is advisable to study it carefully. The temperature may be controlled at tens of degrees Celsius, and the pressure is also adjusted according to the nature of the raw material and the reaction.
The basic structure of indole-pyridine can be constructed first, and then diethylamino and sulfonyl-related substituents can be gradually introduced. First, indole and pyridine are cycled in a specific reaction, and then the position is selected on the ring, and the desired group is gradually added through halogenation, nucleophilic substitution and other reactions. During halogenation, the amount of halogenating agent and reaction time need to be accurately controlled to avoid perhalogenation or halogenation insufficiency. In nucleophilic substitution, the activity and reaction conditions of nucleophilic reagents also affect the purity and yield of the product.
After the reaction is completed, the separation and purity of the product are also important. You can use column chromatography to select the appropriate fixed phase and mobile phase to separate the impurities and obtain the pure product. Or use recrystallization to select a good solvent to crystallize the product in it to remove impurities and increase its purity.
All these methods require fine operation, observation of the changes in the micro-end, and adjustment of the reaction conditions, in order to obtain a satisfactory yield and purity, resulting in 5- (diethylamino) -2- {[ (3,4-diethylamino vinyl-2-yl) ethyl] sulfonyl} -1H -indolo-pyridine.
What are the precautions for using 5- (difluoromethoxy) 2- {[ (3,4-dimethoxypyridin-2-yl) methyl] thio} -1H-benzimidazole?
5 - (diethylamino) - 2 - {[ (3,4-diethoxyacetophenone-2-yl) ethyl] carbonyl} -1H-indole This compound is a product of chemical synthesis. During use, many matters must be paid attention to.
The first thing to pay attention to is its toxicity and safety. The chemical structure of this compound is unique, but the toxicity information may not be fully clear. Therefore, when handling, it is necessary to uphold a cautious attitude. If it comes into direct contact with the skin, eyes, or inadvertently inhaled or ingested, it may cause damage to human health. Such as skin contact, or cause redness, swelling, itching; eye contact, or tingling, blurred vision; inhalation or cause respiratory irritation, such as coughing, asthma, etc.; ingestion may cause gastrointestinal discomfort, such as nausea, vomiting, abdominal pain, etc. When operating, wear protective clothing, protective gloves and goggles, and ensure that the operating environment is well ventilated to prevent the accumulation of harmful gases.
Secondly, the stability of this compound cannot be ignored. It is quite sensitive to environmental factors such as temperature, humidity, and light. Under high temperature, it may cause decomposition and deterioration, affecting its chemical properties and efficacy; under high humidity, it may cause hydrolysis, changing its physical state; if the light is too strong, it may also trigger luminescent chemical reactions, causing its structure to change. Therefore, when storing, it should be placed in a cool, dry and dark place to maintain its stability and quality.
Furthermore, during use, accurate dose control is essential. Due to the large difference in doses required for different purposes, the dose is improper, or the desired effect cannot be achieved, or the dose is too high and causes unexpected reactions. If used in experimental research, it is necessary to measure and configure according to the experimental design, with the help of precise instruments and equipment to ensure the accuracy and reliability of the experimental results.
In addition, due to its chemical properties, the materials of the containers and equipment in contact with it should also be carefully selected. Certain materials may chemically react with them, causing corrosion to the container, or affecting the properties of the compound itself. Therefore, it is advisable to choose materials that are chemically stable and do not react with them, such as specific glass or plastic containers.