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What is the chemical structure of 1-methyl-1H-imidazole-4-carboxylate?
The chemical structure of 1 - methyl - 1H - imidazole - 4 - carboxylate is quite exquisite. This compound is composed of an imidazole ring as the base, and the imidazole ring is a five-membered heterocycle containing two nitrogen atoms. At position 1, there is a methyl group, and the addition of this methyl group changes the spatial structure and electron cloud distribution of the molecule. At position 4, the ester structure of the carboxylate group is connected, that is, the carboxylate part. The characteristics of the ester group give the molecule different chemical activities and physical properties.
In this structure, the imidazole ring has certain basicity and coordination ability due to the existence of nitrogen atoms, and can form coordination compounds with metal ions, etc., which has great application potential in many catalytic reactions and materials science fields. The introduction of methyl groups affects the lipophilic properties of molecules and changes their solubility and diffusivity in different solvents. Carboxyl ester groups, on the one hand, because they contain carbonyl and alkoxy groups, can participate in many organic reactions such as hydrolysis and alcoholysis, and on the other hand, they also regulate the overall stability and reactivity of molecules. Such a unique chemical structure has attracted much attention in the fields of medicinal chemistry, organic synthesis chemistry, etc. Chemists can create new compounds with specific properties and biological activities by modifying and modifying their structures.
What are the physical properties of 1-methyl-1H-imidazole-4-carboxylate?
1 - methyl - 1H - imidazole - 4 - carboxylate (1 - methyl - 1H - imidazole - 4 - carboxylate) is one of the organic compounds. Its physical properties are unique, and it is very important in the field of scientific research and industrial application.
Looking at its properties, it is mostly white to light yellow crystalline powder under normal conditions, which is easy to identify and distinguish. Its melting point is in a specific range, usually between [X] ° C and [X] ° C. The stability of the melting point indicates that the structure of the substance is relatively stable, and the intermolecular force has a certain law.
Solubility is also an important physical property. In common organic solvents, such as ethanol and acetone, it has a certain solubility and can be dissolved in an appropriate amount of such solvents to form a homogeneous solution. However, its solubility in water is not good, which is related to the existence of hydrophobic groups in the molecular structure. This solubility characteristic determines its application in different reaction systems and separation processes.
1 - methyl - 1H - imidazole - 4 - carboxylate density is about [X] g/cm ³, this value reflects the mass of the substance per unit volume, which is of great significance for operations involving metrology and substance transport.
In addition, its stability is good, and it can maintain its chemical structure and physical properties unchanged for a long time under normal temperature and pressure and general storage conditions. In case of extreme conditions such as strong acid, strong base or high temperature, the structure may change, triggering chemical reactions.
In summary, the physical properties of 1-methyl-1H-imidazole-4-carboxylate determine its application in many fields such as organic synthesis and medicinal chemistry, providing an important basis for related research and production practice.
What are the common uses of 1-methyl-1H-imidazole-4-carboxylate?
1 - methyl - 1H - imidazole - 4 - carboxylate is an organic compound, and its common uses are as follows:
First, in the field of organic synthesis, this compound is often used as a key intermediate. With its unique chemical structure, it can be combined with other reagents through various chemical reactions, such as substitution reactions, addition reactions, etc., to build more complex organic molecular structures. Chemists can use its activity check point cleverly to precisely guide the synthesis of organic compounds with specific structures and functions, such as the synthesis of pharmaceutical molecules with special pharmacological activities, or the preparation of unique material monomers.
Second, in the field of medicinal chemistry, the structure of 1-methyl-1H-imidazole-4-carboxylate is similar to that of many bioactive molecules. Therefore, researchers often introduce it into drug molecular design in order to give drugs better pharmacological properties, such as enhancing the affinity between drugs and targets, improving the pharmacokinetic properties of drugs, such as improving solubility, stability and bioavailability. Some studies have shown that compounds containing this structure exhibit potential activities in antibacterial, anti-inflammatory and anti-tumor aspects, providing an important direction for the development of new drugs.
Third, in the field of materials science, 1-methyl-1H-imidazole-4-carboxylate can participate in the synthesis of polymers. By polymerizing with suitable monomers, polymer materials with special properties can be prepared. It can affect the thermal stability, mechanical properties and adsorption properties of polymers to specific substances. For example, the prepared polymer materials may have application potential in gas separation membranes, ion exchange resins and other fields, injecting new vitality into the development of materials science.
What are 1-methyl-1H-imidazole-4-carboxylate synthesis methods?
1 - methyl - 1H - imidazole - 4 - carboxylate is 1 - methyl - 1H - imidazole - 4 - carboxylate, and the following methods are common for its synthesis.
First, use 1 - methyl imidazole as the starting material. First, it reacts with suitable carboxylic acid derivatives, such as acyl halide or acid anhydride, in the presence of a suitable base. The base can be selected from potassium carbonate, sodium carbonate, etc., and the reaction is stirred in an organic solvent such as dichloromethane, N, N - dimethylformamide (DMF) in a certain temperature range (usually room temperature to about 50 ° C). In this process, the base can promote the departure of hydrogen from the 1-methylimidazole nitrogen atom, and then undergo nucleophilic substitution reaction with carboxylic acid derivatives to generate 1-methyl-1H-imidazole-4-carboxylic acid esters. After the reaction, it was isolated and purified by conventional extraction, washing, drying and column chromatography.
Second, starting from imidazole-4-carboxylic acid. First, imidazole-4-carboxylic acid is methylated. The commonly used methylation reagents are iodomethane or dimethyl sulfate. Under basic conditions, such as sodium hydroxide or potassium hydroxide in aqueous or alcoholic solutions, the carboxyl anion of imidazole-4-carboxylic acid reacts with a methylating agent to achieve methylation of the carboxyl group, thereby obtaining 1-methyl-1H-imidazole-4-carboxylic acid ester. After the reaction, the product needs to be obtained by adjusting the pH value, extraction and other operations. If necessary, it can also be further purified by column chromatography.
Third, synthesized by one-pot method. With appropriate nitrogen-containing heterocyclic precursor, carboxylic acid source and methylating agent, under specific catalyst and reaction conditions, the structure of 1-methyl-1H-imidazole-4-carboxylic acid ester is constructed in one step. This method can reduce the reaction steps and improve the synthesis efficiency, but the requirements for reaction conditions and catalysts are more stringent, and the reaction temperature, time and the proportion of each reactant need to be precisely adjusted to achieve the ideal yield and selectivity. After synthesis, a variety of separation techniques are also used to obtain high-purity target products.
1-methyl-1H-imidazole-4-carboxylate What are the precautions in storage and transportation?
1-Methyl-1H-imidazole-4-carboxylate is a very important chemical substance, and many key points need to be paid attention to during storage and transportation.
Bear the brunt, and be sure to ensure that the environment is dry when storing. This substance is susceptible to moisture. If the environment is humid, it may cause chemical reactions such as hydrolysis, which will damage its chemical properties and purity. Therefore, it should be stored in a dry and well-ventilated place, preferably in a sealed container to prevent moisture from invading.
Secondly, the temperature should not be ignored. It should be stored in a suitable temperature range to avoid high or low temperatures. If the temperature is too high, or accelerates its chemical reaction rate, causing it to deteriorate; if the temperature is too low, in some cases, it may cause its crystallization to precipitate, which will affect subsequent use. Generally speaking, it is more suitable to store at room temperature, but please refer to relevant information or product instructions for details.
Furthermore, the storage place should be away from fire sources and oxidants. This substance is flammable to a certain extent, and it is easy to cause fire in case of fire sources; and contact with oxidants, or violent reactions occur, endangering safety.
As for transportation, the packaging must be solid and reliable. Appropriate packaging materials should be selected to resist vibration and collision during transportation, and to prevent material leakage due to package damage.
During transportation, environmental conditions should also be strictly controlled. Keep the transportation environment dry and suitable temperature, and follow relevant transportation regulations and standards. At the same time, transportation personnel should be familiar with the characteristics of this substance and emergency treatment methods. In the event of an accident, they can respond quickly and properly to ensure the safety of personnel and the environment is not polluted. In this way, 1-methyl-1H-imidazole-4-carboxylate can be guaranteed to maintain good quality and safety during storage and transportation.