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What is the chemical structure of 2-acetyl-1-methylpyrrole?
2-Acetyl-1-methylpyrrole is also an organic compound. Its chemical structure is unique, with a pyrrole ring as the base. The pyrrole ring is a five-membered nitrogen-containing heterocycle, with a conjugated system, with a special electron cloud distribution, so that it has a certain stability and reactivity.
In the first position of the pyrrole ring, there is a methyl (-CH 🥰), and the methyl is an alkyl group, which has the property of electrons, which can affect the electron cloud density of the pyrrole ring, so that the electron cloud density of the adjacent and para-sites is relatively increased. In chemical reactions, the adjacent and para-sites are more susceptible to attack by electrophilic reagents. < Br >
In the second position of the pyrrole ring, there is an acetyl group (-COCH 🥰). In the acetyl group, the carbonyl group (-C = O) has electron-withdrawing properties, which can shift the electron cloud of the pyrrole ring to the carbonyl group, reduce the electron cloud density of the pyrrole ring, and make the reactivity of the 2-position change significantly compared with that of the unsubstituted position. The carbon and oxygen double bond in the carbonyl group has a large fluidity of the π electron cloud, which can participate in a variety of reactions, such as nucleophilic addition. Therefore, the chemical structure of 2-acetyl-1-methylpyrrole, due to the presence of different substituents on the pyrrole ring, and the mutual influence of each group, endows this compound with unique physical and chemical properties. It has important research and application value in the fields of organic synthesis and medicinal chemistry.
What are the main physical properties of 2-acetyl-1-methylpyrrole?
2-Acetyl-1-methylpyrrole is an organic compound with many important physical properties.
Looking at its properties, it is mostly liquid under normal conditions, which is due to the intermolecular force. Its boiling point is also an important property. Because the molecule contains acetyl groups and methyl groups, the intermolecular force is more complex, and the boiling point is in a specific range, about [X] ° C. The characteristics of the boiling point play a key role in the separation of the compound by distillation.
In terms of solubility, this compound has good solubility in organic solvents such as ethanol and ether. Because there are both acetyl groups with certain polarity and non-polar methyl groups and pyrrole rings in the molecule, it can be well miscible with some organic solvents according to the principle of similar miscibility. This solubility is conducive to being used as a solvent for reactants or products in organic synthesis, which is convenient for reaction and subsequent separation and purification.
Furthermore, its density is also an important physical property, about [X] g/cm ³. Density plays an important guiding role in material measurement and stratification separation in chemical production and experimental operations.
In addition, the color state of 2-acetyl-1-methylpyrrole is often colorless to light yellow. This color characteristic can help to preliminarily judge its purity and state in experiments and production. In conclusion, the physical properties of 2-acetyl-1-methylpyrrole, such as boiling point, solubility, density, and color state, are of great value for its applications in organic synthesis, chemical production, and analytical testing.
2-acetyl-1-methylpyrrole commonly used in which chemical reactions?
2-Acetyl-1-methylpyrrole, Chinese name 2-acetyl-1-methylpyrrole, is commonly used in many organic synthesis reactions.
In the reaction of the construction of heterocyclic compounds, 2-acetyl-1-methylpyrrole is often used as the key raw material. Due to the specific structure of the pyrrole ring with acetyl and methyl groups, other functional groups can be introduced into the pyrrole ring by nucleophilic substitution, electrophilic substitution and other reactions, and then the complex ring system can be synthesized. For example, in the nucleophilic substitution reaction with halogenated hydrocarbons, the halogen atoms of the halogenated hydrocarbons can be replaced by atoms at specific positions on the pyrrole ring to form new carbon-carbon or carbon-heteroatomic bonds, which are extremely important for the construction of biologically active heterocyclic drug molecular architectures.
In the construction of conjugated systems, 2-acetyl-1-methylpyrrole also has important applications. Conjugated systems are of great significance in the field of materials science, which endow materials with unique photoelectric properties. 2-Acetyl-1-methylpyrrole can be polymerized or linked with other conjugated units to form long conjugated chains and improve the conductivity and optical properties of materials, such as in the preparation of organic Light Emitting Diodes (OLEDs), organic solar cells and other optoelectronic devices.
In organometallic catalytic reactions, 2-acetyl-1-methylpyrrole can be used as a ligand to complex with metal catalysts. Because the nitrogen atom of the pyrrole ring has lone pairs of electrons, it can coordinate with the metal center, which affects the electron cloud density and spatial structure of the metal catalyst, thereby regulating the activity and selectivity of the catalytic reaction. For example, in some transition metal-catalyzed coupling reactions, ligands derived from 2-acetyl-1-methylpyrrole can effectively improve the reaction efficiency and product selectivity.
What are the methods of preparing 2-acetyl-1-methylpyrrole?
The preparation method of 2-acetyl-1-methylpyrrole (2-acetyl-1-methylpyrrole) depends on the technique of organic synthesis in the past. One method is to take 1-methylpyrrole as the starting material and obtain it by acylation. Among them, 1-methylpyrrole and acetic anhydride or acetyl chloride are heated together with an appropriate catalyst such as anhydrous aluminum trichloride. Anhydrous aluminum trichloride can promote the acylation reaction, so that the acetyl group of acetic anhydride or acetyl chloride is transferred to the 2-position of 1-methylpyrrole to form 2-acetyl-1-methylpyrrole. < Br >
There are also those based on other nitrogen-containing heterocyclic compounds and prepared by series of conversions. For example, pyrrole derivatives are first methylated to obtain 1-methyl pyrrole derivatives, and then acylated. When
is prepared, the control of reaction conditions is extremely important. Temperature needs to be appropriate. If it is too high, the side reaction will multiply, and if it is too low, the reaction will be delayed. And the choice of solvent is also critical. Commonly used halogenated hydrocarbon solvents such as dichloromethane and chloroform have good solubility to the reactants and little interference with the reaction.
In addition, the purity of the raw material and the amount of catalyst are all related to the yield and purity of the product. The high purity 2 - acetyl - 1 - methylpyrrole can be obtained by carefully controlling the reaction elements to meet the needs of scientific research and industry.
In what areas is 2-acetyl-1-methylpyrrole applied?
2-Acetyl-1-methylpyrrole is an organic compound with unique chemical structure and properties, which can be used in many fields.
In the field of medicine, it can be used as a key intermediate in the synthesis of drugs. Due to the specific structure, it can interact with targets in vivo, providing the possibility for the development of new drugs. For example, in the development of anti-tumor drugs, by modifying and modifying their structures, it is expected to obtain highly active and low-toxicity anti-cancer compounds, or inhibit tumor growth and spread by affecting specific signaling pathways of tumor cells.
In the field of materials science, 2-acetyl-1-methylpyrrole can participate in the synthesis of materials with special properties. If it is used to prepare conductive polymers, it can be polymerized with other monomers to give the material special electrical properties. It may be used in electronic devices such as organic Light Emitting Diodes (OLEDs), field effect transistors, etc., which can improve the performance and stability of the device.
In the field of organic synthetic chemistry, it is an important synthetic building block. With its active reaction check point, complex organic molecular structures can be constructed through various chemical reactions. For example, through nucleophilic substitution, electrophilic substitution and other reactions, different functional groups are introduced to expand the structural diversity of organic compounds, providing an effective way for the synthesis of natural products, functional molecules, etc.
In addition, in the field of fragrance industry, due to its special odor and chemical properties, it can be used as a fragrance component or a fragrance synthesis raw material. After blending and modifying, the product is endowed with a unique aroma, which is used in perfume, food fragrance and other industries to add unique flavor and aroma characteristics to the product.