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What is the chemical structure of 5- [ (1S) -1- (2,3-dimethylphenyl) ethyl] -1H-imidazole?
5 - [ (1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-indole, this is an organic compound. In terms of its naming, " (1S) " indicates that the configuration of a chiral center in the compound is S-type. "1- (2,3-dimethylbenzyl) ethyl" indicates that a specific substituent is connected at position 1 of the indole ring, which is composed of an ethyl group and a 2,3-dimethylbenzyl group. "1H-indole" determines that the basic framework of the compound is indole structure.
In the words of "Tiangong Kaiwu", it can be said: "There is a thing named 5- [ (1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-indole. Its indole-based frame is substituted with (1S) -1- (2,3-dimethylbenzyl) ethyl in the first position. ' (1S) ', the type of the chiral center is S also. '2,3-dimethylbenzyl' is the addition of two and three methyl groups above the benzyl group. Ethyl is linked to 2,3-dimethylbenzyl, which co-forms the substituted group and is connected to the 1 position of indole. "The structure of this compound depends on the rules of organic chemistry, and is accurately described according to the order and configuration of each group.
What are the physical properties of 5- [ (1S) -1- (2,3-dimethylphenyl) ethyl] -1H-imidazole?
(1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-imidazole, this substance is an organic compound with specific physical properties.
Looking at its properties, it is mostly white to light yellow crystalline powder under normal conditions, which is conducive to identification and operation. Its melting point is quite critical, about [X] ° C, with a specific melting point, which can be used to identify purity. The higher the purity, the closer the melting point is to the theoretical value.
Solubility is also an important property. In organic solvents, such as ethanol and dichloromethane, it has good solubility and can form a uniform solution with these solvents. Due to the principle of similar miscibility, its structure has a certain affinity with organic solvents. However, the solubility in water is not good, because the hydrophobic part of the molecular structure accounts for a large proportion, it is difficult for water molecules to effectively interact with it.
In terms of boiling point, it is about [X] ° C under a specific pressure. The boiling point reflects the energy required for the material to change from liquid to gaseous state, which is of great significance for its separation and purification. It can be separated according to the difference in boiling point by distillation and other means.
In addition, the density of (1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-imidazole is about [X] g/cm ³, which reflects the mass per unit volume and is indispensable for accurate measurement and reaction ratio. And because it has a certain volatility, it needs to be operated in a well-ventilated environment to prevent it from accumulating in the air. < Br >
The above physical properties are extremely important for their application in organic synthesis, medicinal chemistry and other fields. The selection of suitable solvents in synthesis, separation and purification must be planned according to their physical properties.
What are the main uses of 5- [ (1S) -1- (2,3-dimethylphenyl) ethyl] -1H-imidazole?
5- [ (1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-indole, which is an organic compound. Its main use is quite extensive, in the field of medicinal chemistry, often as a key intermediate. The structure of Gainindole is ubiquitous in many biologically active molecules. After appropriate chemical modification, it can impart specific pharmacological activities to compounds, such as anti-cancer, anti-inflammatory, antibacterial, etc., and plays an important role in the development of new drugs.
In the field of materials science, compounds containing this structure or exhibiting unique optical and electrical properties can be used to prepare organic optoelectronic materials, such as organic Light Emitting Diodes (OLEDs), organic solar cells, etc. By fine-tuning their structures, the optoelectronic properties of materials can be optimized.
In pesticide chemistry, such compounds may have biological activities such as insecticides and weeding, providing a potential direction for the development of new high-efficiency and low-toxicity pesticides. Due to their special chemical structure and activity, they have significant application value in many fields and are of great significance for promoting the development of related fields.
What are the synthesis methods of 5- [ (1S) -1- (2,3-dimethylphenyl) ethyl] -1H-imidazole?
The synthesis method of 5- [ (1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-imidazole is related to the delicate field of organic chemistry. There are many methods, each has its own advantages, and I will describe them in detail today.
First, it can be prepared by the nucleophilic substitution reaction of the corresponding halogenated hydrocarbon and imidazole in the presence of a suitable base. First take the halogenated (1S) -1- (2,3-dimethylbenzyl) ethane, place it in the reaction kettle, add an appropriate amount of imidazole, then add an alkali agent such as potassium carbonate, use acetonitrile or DMF as a solvent, heat and stir, control the temperature between 60-80 degrees Celsius, after a few hours, the reaction is completed, and the target product can be purified by extraction, distillation, column chromatography and other means. This is a classic method, the operation is relatively easy, but the preparation of halogenated hydrocarbons may require multiple steps of reaction, and the cost is slightly higher.
Second, the imidazole ring is constructed by condensation and cyclization reaction with aldehyde and amine as starting materials. First, (1S) -1- (2,3-dimethylbenzyl) ethylamine is condensed with an aldehyde such as formaldehyde to obtain an imine intermediate, followed by a suitable catalyst, such as p-toluenesulfonic acid, heated and cyclized in an organic solvent at a temperature of about 100-120 degrees Celsius. After the reaction, the imidazole product can also be obtained after post-treatment and purification. This path has high atomic economy, but the reaction conditions are slightly harsh and need to be precisely controlled.
Third, the coupling reaction catalyzed by transition metals is used. Using halogenated aryl-containing (1S) -1- (2,3-dimethylbenzyl) compounds and imidazole derivatives as substrates, transition metals such as palladium or copper as catalysts, ligand coordination, and the participation of bases, the reaction is carried out in a suitable solvent. For example, palladium acetate is used as a catalyst, bipyridine is used as a ligand, and cesium carbonate is used as a base. In toluene solvent, the reaction is heated to 110-130 degrees Celsius. This method has good selectivity and can build complex structures. However, transition metal catalysts are expensive, and post-processing may involve metal residues.
What are the precautions for 5- [ (1S) -1- (2,3-dimethylphenyl) ethyl] -1H-imidazole during storage and transportation?
5 - [ (1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-indole in the storage and transportation process, need to pay attention to many key matters.
First, the control of temperature is very important. This compound is quite sensitive to temperature, too high or too low temperature may cause its chemical properties to change or even deteriorate. Therefore, it should be stored in a specific temperature range. Generally speaking, it should be stored in a cool place with a temperature of 2-8 ° C. If you need to transport, you should also ensure that the transportation environment temperature is stable. You can use transportation equipment with temperature control function to avoid temperature fluctuations affecting its quality.
Second, the influence of humidity should not be underestimated. High humidity environments can easily make 5- [ (1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-indole damp, causing deliquescence, agglomeration and other conditions, which in turn affect its purity and activity. The storage place should be kept dry, and the relative humidity should be controlled at 40% - 60%. When transporting, a desiccant can be placed in the package to prevent water vapor intrusion.
Third, the packaging must be tight. This compound needs to be stored and transported in a well-sealed package to prevent oxidation reactions in contact with air. Inert gas protection packaging can be used, such as filling with nitrogen, to reduce the impact of oxygen on it. Packaging materials should also be carefully selected, and should have good barrier properties to avoid external factors.
Fourth, avoid mixing with other chemicals. 5 - [ (1S) -1- (2,3-dimethylbenzyl) ethyl] -1H-indole may react chemically with certain chemicals, causing danger. Be sure to store and transport it separately, and keep a safe distance from oxidizing agents, acids, alkalis and other chemicals.
Fifth, fireworks should be strictly prohibited in storage and transportation places. This compound may be flammable, and there is a risk of combustion and explosion in case of open flames and hot topics. The site needs to be equipped with complete fire protection facilities and emergency treatment equipment to deal with emergencies.