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1H-Pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5- [2- (trifluoromethyl) phenyl] -, what is the chemical structure of ethyl ester
This is the chemical structure of 1- (2-hydroxyethyl) -4-methyl-5- [2 - (trifluoromethyl) phenyl] -1H-pyrrole-3-carboxylic acid ethyl ester. To clarify its chemical structure, it is necessary to analyze it from each part of the group.
First say "1H-pyrrole", which is a five-membered heterocyclic ring containing one nitrogen atom, and the hydrogen atom on the ring is at the 1st position. "1- (2-hydroxyethyl) ", that is, a nitrogen atom at the 1st position is connected with a 2-hydroxyethyl group, and the 2nd position of this ethyl group has a hydroxyl group. " 4-Methyl ", indicating that the pyrrole ring has a methyl group at the 4th position." 5- [2- (trifluoromethyl) phenyl] ", indicating that the pyrrole ring has a phenyl group at the 5th position, and the second position of this phenyl group has trifluoromethyl." Ethyl 3-carboxylate ", indicating that the pyrrole ring has an ester group formed by carboxylic acid and ethanol at the 3rd position.
In summary, this compound has a 1H-pyrrole as the core framework, 1-azo-2-hydroxyethyl group, 4-methyl group, 5-specific phenyl group, and 3-carboxylate ethyl group, thus constituting its chemical structure.
1H-Pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5- [2- (trifluoromethyl) phenyl] -, what are the physical properties of ethyl ester
1H-pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5- [2 - (trifluoromethyl) phenyl] -, ethyl ester, its physical properties are quite critical.
Looking at its properties, it is often in the state of a solid or viscous liquid, which is due to the characteristics of intermolecular forces and structures. Its color is mostly colorless to light yellow, but it may vary slightly due to the mixing of impurities.
As for the melting boiling point, the melting point is often in a specific range due to the interaction of intermolecular hydrogen bonds, van der Waals forces, etc. Molecules contain polar hydroxyl and ester groups, and the presence of benzene and pyrrole rings enhances the intermolecular forces, resulting in a relatively high melting point. The boiling point is also influenced by molecular weight and intermolecular forces. Due to the complex structure and relatively large molecular weight, the boiling point is also higher.
In terms of solubility, because of its polar groups, it has a certain solubility in polar solvents such as ethanol and acetone. This is due to the principle of "similar miscibility". Polar solvents and polar groups of molecules can form hydrogen bonds or other intermolecular forces. In non-polar solvents such as n-hexane, the solubility is very small.
The value of density is related to the degree of close packing of molecules and the relative molecular weight. The molecular structure is compact and the relative molecular weight is large, resulting in a higher density or than that of common organic solvents.
In addition, its refractive index is also an important physical property, reflecting the influence of molecules on light propagation, and is closely related to the molecular structure and electron cloud distribution.
In summary, the physical properties of 1H-pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5- [2 - (trifluoromethyl) phenyl] -, ethyl ester are influenced by the interaction of various groups in the molecular structure, which has a profound impact on its application in many fields.
1H-Pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5- [2- (trifluoromethyl) phenyl] -, ethyl ester What is the main use of
1H-pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5 - [2 - (trifluoromethyl) phenyl] -, ethyl ester, has a wide range of uses. In the field of medicine, or as the key raw material for the development of new drugs. Its unique chemical structure may interact with specific biological targets, and through subtle molecular mechanisms, it affects cell physiological activities, such as regulating signaling pathways and interfering with enzyme activities. Therefore, it is expected to be used in the treatment of diseases, especially for some intractable diseases for which there is no specific therapy, or it may open up a new therapeutic path. < Br >
In the field of materials science, or can be used to prepare materials with special properties. Because it contains specific functional groups and structures, or gives materials such as unique optical, electrical or mechanical properties. For example, through clever design and synthesis, or to make the material have good fluorescence properties, it can be used in the field of optical sensing to detect specific substances in the environment; or to enhance the stability and plasticity of the material and expand its application in high-end material manufacturing.
Furthermore, in organic synthetic chemistry, it is often used as an important intermediate. Due to its complex structure and active check point, it can undergo various chemical reactions and skillfully splice and combine with other organic molecules to derive organic compounds with rich structures and different functions, which greatly enriches the library of organic compounds and contributes to the development of organic synthetic chemistry.
1H-Pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5- [2- (trifluoromethyl) phenyl] -, ethyl ester What is the synthesis method
To prepare 1H - pyrrole - 3 - carboxylic acid, 1 - (2 - hydroxyethyl) - 4 - methyl - 5 - [2 - (trifluoromethyl) phenyl] -, ethyl ester, the method is as follows:
First take 1 - (2 - hydroxyethyl) - 4 - methyl - 5 - [2 - (trifluoromethyl) phenyl] - 1H - pyrrole - 3 - carboxylic acid as the starting material. The raw material is placed in the reaction kettle, and an appropriate amount of ethanol is added as the reaction solvent. The amount of ethanol needs to be precisely prepared according to the amount of raw materials, so that the raw materials can be fully dissolved and conducive to the reaction.
Then, add an appropriate amount of catalyst, such as concentrated sulfuric acid or p-toluenesulfonic acid. This catalyst can accelerate the reaction process and improve the reaction efficiency. The amount of catalyst also needs to be carefully controlled. Too much or too little may affect the reaction effect.
When reacting, the reaction temperature needs to be precisely adjusted. Generally speaking, the temperature can be maintained in a certain range, such as 80-100 ° C. If the temperature is too high, it is easy to cause side reactions and the product is impure; if the temperature is too low, the reaction rate will be slow and take a long time.
During the reaction, the mixture is continuously stirred so that the raw materials, ethanol and catalyst are fully contacted and the reaction proceeds uniformly. After several hours of reaction, the reaction progress is monitored by thin-layer chromatography or other suitable analytical means until the raw materials are exhausted or the desired reaction degree is reached.
After the reaction is completed, the reaction mixture is cooled. Subsequently, the ethanol and other impurities in the reaction system are removed by appropriate separation methods, such as distillation and extraction. First, the ethanol is evaporated and recovered by distillation, using the difference between the boiling points of the ethanol and the product. After that, the extraction operation is carried out with a suitable extractant to enrich the product in the extraction phase.
Finally, the extracted product is purified. A suitable solvent can be selected by recrystallization, such as the mixed solvent of ethyl acetate and n-hexane, in which the product is recrystallized to remove residual impurities, and then obtain high-purity 1H-pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5- [2 - (trifluoromethyl) phenyl] -, ethyl ester products. The whole process must pay attention to the details of each step to control, in order to obtain satisfactory results.
1H-Pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5- [2- (trifluoromethyl) phenyl] -, ethyl ester safety risk
1H-pyrrole-3-carboxylic acid, 1- (2-hydroxyethyl) -4-methyl-5 - [2 - (trifluoromethyl) phenyl] -, ethyl ester is related to safety risks and cannot be ignored.
Looking at this chemical substance, its structure is complex and its composition is unique. Although many of its characteristics are not known in detail, it is common sense that many chemical substances are potentially dangerous. Or because of its fluorine-containing special groups, in terms of physical properties, they may be volatile and soluble; in terms of chemical activity, they may easily react with other substances, resulting in unpredictable changes.
And such organic esters, some or flammable, in case of open flames, hot topics, fear of becoming a prairie fire, leading to the risk of fire. And the fluoroaromatic hydrocarbon structure it contains, some or biotoxic, if not carefully into the body, through the mouth, percutaneous or inhalation, or damage human function, endangering health.
In addition, during storage and transportation, due to its chemical properties, specific conditions are required. Improper temperature and humidity, or damaged packaging, can cause changes in its properties and cause safety incidents. Therefore, this thing should be treated with caution and its properties should be studied in detail to determine proper safety protection and management policies. It must not be taken lightly to ensure safety.