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What is the chemical structure of dimethyl 2-propyl-1H-imidazole-4, 5-dicarboxylate?
"Dimethyl 2 - propyl - 1H - imidazole - 4,5 - dicarboxylate", this is the English name of a compound in organic chemistry. According to the chemical naming rules, its chemical structure can be deduced as follows:
The core of this compound is a 1H - imidazole ring. This ring has a special conjugate structure and is a five-membered nitrogen-containing heterocycle, in which a nitrogen atom is at the 1 position and connected to a hydrogen atom. At the 4 and 5 positions of the imidazole ring, there is a carboxyl group - COOH, but the two have undergone esterification reaction with the methyl group to form two methyl formate groups - COOCH, that is, the hydroxyl group in the carboxyl group is replaced by a methoxy group. At the second position of the imidazole ring, there is a propyl-CH 2O CH 2O CH
, which is a linear alkyl group.
From a comprehensive perspective, the imidazole ring is the core structure of this compound. Through the connection of different substituents, it is endowed with unique chemical properties and reactivity, which may have potential application value in the fields of organic synthesis and medicinal chemistry.
What are the main uses of dimethyl 2-propyl-1H-imidazole-4, 5-dicarboxylate
Dimethyl ester-2-propyl-1H-imidazole-4,5-dicarboxylate, which has a wide range of uses. In the field of medicinal chemistry, it is often a key intermediate, used to synthesize compounds with unique biological activities, or to show therapeutic potential for specific diseases. Due to its unique structure, it can participate in a variety of chemical reactions, laying the foundation for the creation of new drug molecules.
In the field of materials science, it also has a good performance. It can be integrated into polymer materials through specific reactions to give novel properties to materials, such as improving the stability and mechanical properties of materials, or giving them some special functions, such as responding to external stimuli. < Br >
is an important building block in the field of organic synthesis. With its active groups, it can undergo a variety of organic reactions to build complex organic molecular structures, expand the diversity of organic compounds, and provide key assistance for the development of organic synthetic chemistry, prompting researchers to explore more novel and valuable organic compounds.
What is the synthesis method of dimethyl 2-propyl-1H-imidazole-4, 5-dicarboxylate
The method of preparing dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate is the key to organic synthesis. The method is as follows:
First take suitable starting materials, such as imidazole derivatives with corresponding structures and propylation reagents. Propylation step, the method of nucleophilic substitution is often selected. Using a suitable base as a catalyst, in a suitable solvent, the imidazole derivative interacts with the propylation reagent. The base can produce nucleophilicity at a specific position of the imidazole derivative, and then react with the propylation reagent to introduce propyl.
Subsequently, the esterification reaction of dicarboxylic acid is carried out. Appropriate precursors of dicarboxylic acids are selected, and alcohols, such as methanol, are reacted with them under acid catalysis conditions. The acid can be sulfuric acid or p-toluenesulfonic acid, etc. This is the classic esterification reaction mechanism. Acid catalysis activates the carboxyl group, which is conducive to nucleophilic substitution with methanol to form a dimethyl ester structure. During the reaction process, temperature and time control are required to achieve the best reaction effect. If the temperature is too high or the time is too long, it may cause side reactions and lead to impure products.
After the reaction is completed, the pure dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate is obtained by conventional separation and purification methods, such as column chromatography and recrystallization. Column chromatography separates compounds according to their polarity differences; recrystallization purifies compounds by differences in their solubility at different temperatures. After these steps, the target product can be obtained.
What are the physical properties of dimethyl 2-propyl-1H-imidazole-4, 5-dicarboxylate
Dimethyl-2-propyl-1H-imidazole-4,5-dicarboxylate, which is crystalline, often white or nearly colorless solid, and has a clear appearance. Its melting range is in a specific range, about [X] ° C to [X] ° C. At this temperature range, the solid phase will gradually transform into the liquid phase, which is crucial for the identification and purification of this substance.
In terms of solubility, it exhibits good solubility in common organic solvents such as ethanol and acetone, and can be uniformly dispersed to form a solution; however, in water, its solubility is limited and it is difficult to form a homogeneous state. This difference is due to the difference between the molecular structure of the compound and the interaction between the solvent molecules.
In terms of stability, it can maintain its chemical structure unchanged for a long time at room temperature, protected from strong light and isolated from oxidants. However, if it encounters a strong acid or alkali environment, the ester group and imidazole ring part of its molecular structure are vulnerable to attack and react, causing structural changes and further changing properties. In addition, high temperature conditions also pose a challenge to its stability. When the temperature is too high, it may trigger a decomposition reaction and release volatile products.
How safe is dimethyl 2-propyl-1H-imidazole-4, 5-dicarboxylate?
The safety of dimethyl ester-2-propyl-1H-imidazole-4,5-dicarboxylate is related to many aspects.
From the perspective of chemical properties, this compound has a specific chemical structure and activity. However, under conventional conditions, if it is properly stored to avoid contact with strong oxidants, strong acids, strong bases and other active substances, its chemical stability is acceptable, and it is less dangerous to spontaneously produce violent reactions.
When it comes to toxicity, although there is no detailed and recognized research conclusion at present. However, analogy to similar imidazole compounds may have some potential toxicity. When exposed to the human body, if it is absorbed through the skin, or causes local irritation, such as redness and itching; if inadvertently inhaled, or irritates the respiratory tract, causing cough and asthma; if eaten by mistake, it may damage the digestive system, such as nausea and vomiting.
In terms of environmental impact, in the natural environment, its degradation process and rate are affected by many factors, such as microbial community, pH, temperature, etc. In some cases, it may be slowly degraded into relatively harmless products. However, when the degradation is not sufficient, it may remain in the environment, causing potential harm to aquatic organisms, soil organisms and other ecological units.
In summary, when using and storing dimethyl ester-2-propyl-1H-imidazole-4,5-dicarboxylate, it is necessary to follow strict operating procedures and take protective measures to ensure safety.