1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester

This is the chemical structure of 1H-imidazole-5-carboxylic acid, 4- (1-hydroxy-1-methylethyl) -2-propyl-ethyl ester. Its structure consists of an imidazole ring as the core, with a carboxyl group attached to the 5 position of the imidazole ring. The carboxyl group forms an ester group with ethanol, that is, an ethyl ester structure; the 4 position of the imidazole ring is connected with a 4- (1-hydroxy-1-methylethyl) group, which contains a tertiary carbon structure in which a hydroxyl group is connected to two methyl groups; the 2 position of the imidazole ring is connected with a propyl group. The structure of this compound fuses imidazole ring with a variety of substituents, and the interaction of each group endows it with specific chemical properties and reactivity. In the field of organic synthesis, such structures may be key intermediates. Through chemical transformation, various functional compounds can be derived, which show important application value in pharmaceutical chemistry, materials science and other fields.

This is 4- (1-hydroxy-1-methylethyl) - 2-propyl-1H-imidazole-5-carboxylic acid ethyl ester, which has several physical properties. Looking at its properties, it is mostly white to white-like crystalline powder under normal conditions, which is determined by its molecular structure and crystallization habits.
When it comes to solubility, this compound exhibits good solubility in organic solvents such as ethanol and chloroform. Ethanol is a common organic solvent, and its molecules can form suitable intermolecular forces, such as hydrogen bonds, van der Waals forces, etc., so that the compound can be uniformly dispersed in ethanol in molecular or ionic form. In chloroform, the polarity of chloroform and the structural adaptation of the compound also promote its dissolution. However, its solubility in water is not good, because the polarity of water molecules and the polarity of the compound are quite different, it is difficult for the two to form an effective interaction, and it cannot overcome the intermolecular force of the compound itself to cause it to disperse in water.
Talking about the melting point, after measurement, the melting point of the compound is about a specific temperature range. The melting point is the inherent physical property of the substance, which is determined by the strength of the intermolecular force and the regularity of the crystal structure. The intermolecular force and crystal structure of this compound give it such melting point characteristics, which can provide a key basis for the identification and purity determination of the compound. If the compound has high purity, the melting point range is narrow and approaches the theoretical value; if it contains impurities, the melting point is reduced and the melting range is widened. < Br >
Its density is also an important physical property, and it has a specific density value under specific conditions. Density is related to the molecular weight of the compound and the degree of intermolecular packing. The molecular weight and molecular packing mode of the compound together create its corresponding density. The density properties are of important reference value in the aspects of substance separation, purification and preparation process design.
In summary, the physical properties of 4 - (1 - hydroxy - 1 - methethyl) - 2 - propyl - 1H - imidazole - 5 - ethyl carboxylate, such as properties, solubility, melting point and density, are affected by its molecular structure and intermolecular interactions, and are of indispensable significance in chemical research and related application fields.

1H-imidazole-5-carboxylic acid, 4- (1-hydroxy-1-methylethyl) -2-propyl-ethyl ester is widely used in the field of medicine and chemical industry in today's world.
It is often a key intermediate of traditional Chinese medicine at the end of pharmaceutical research and development. The creation of many new antifungal drugs is based on this. Due to the structural characteristics of this compound, it can combine with specific targets in fungi and interfere with their normal physiological metabolism, so as to inhibit or kill fungi. Taking a well-known new antifungal drug as an example, during the research and development process, 1H-imidazole-5-carboxylic acid, 4- (1-hydroxy-1-methylethyl) -2-propyl -, ethyl ester is modified by multi-step reaction to introduce specific functional groups, resulting in an excellent active drug molecule, which has significant effect on common skin and deep fungal infections.
In the chemical industry, it also has important uses. In the field of fine chemical synthesis, it can be a starting material for the synthesis of special structural organic compounds. Due to the unique activity of the imidazole ring structure, it can undergo a variety of chemical reactions to build a complex organic molecular skeleton. For example, when preparing some high-performance coating additives, the reaction of condensation and substitution with other compounds is used to give the coating better adhesion, weather resistance and other properties.
In addition, in the emerging field of materials science, it is also emerging. Studies have found that after appropriate modification, it can participate in the preparation of polymer materials with special properties, such as composites with certain biocompatibility and conductivity, which are expected to be applied to cutting-edge fields such as biosensors. All these, it is evident that 1H-imidazole-5-carboxylic acid, 4- (1-hydroxy-1-methylethyl) -2-propyl -, ethyl ester is widely used and has important value in the development of many fields.

There are many ways to synthesize 4- (1-hydroxy-1-methylethyl) -2-propyl-1H-imidazole-5-carboxylate ethyl ester.
First, the imidazole ring can be constructed through a multi-step reaction. First, take a suitable carbonyl and amino compound, and under suitable reaction conditions, through condensation reaction, form an imidazole skeleton. For example, take a compound containing an aldehyde group and an amino group as the starting material, in an acid or base catalyzed environment, promote the condensation of the two to form a precursor of the imidazole ring. Then, modify the precursor. A 4- (1-hydroxy-1-methylethyl) group is introduced into it, and a nucleophilic substitution reaction can occur in a basic environment by suitable halogenates or other active reagents, and this specific group can be connected to the 4-position imidazole ring. At the same time, the introduction of propyl at the 2-position can also be achieved by similar nucleophilic substitution means. Finally, the carboxyl group at the 5-position is esterified, and the target product 4- (1-hydroxy-1-methylethyl) -2-propyl-1H-imidazole-5-carboxylic acid ethyl ester is prepared by ethanol and a suitable condensing agent under mild conditions.
Second, you can also start from compounds that already have a partial structure. Find a compound containing an imidazole ring and have a modifiable group at a specific position, and perform functional group conversion on the modifiable group first. For example, if the 4 positions of the starting imidazole ring have a group that can be substituted with a hydroxyl group, 1-hydroxy-1-methylethyl can be introduced through a reaction such as hydrolysis or nucleophilic substitution. If the 2 positions are active check points that can be substituted by propyl, they can also be connected to propyl through a nucleophilic substitution reaction. After that, for the carboxyl group of the 5 positions, the target ester compound is obtained by esterification with ethanol as in the previous method.
Third, the reaction strategy catalyzed by transition metals can also be used. Transition metals are used as catalysts, such as palladium, copper, etc., with their unique catalytic activity, to promote the coupling reaction between the substrate containing the imidazole ring and the reagent with the target substituent. In suitable ligand, base and solvent systems, 1-hydroxy-1-methethyl is introduced precisely at the 4th position of the imidazole ring, and propyl is introduced at the 2nd position. Finally, the carboxyl group at the 5th position is esterified to obtain 4- (1-hydroxy-1-methethyl) -2-propyl-1H-imidazole-5-carboxylic acid ethyl ester.

1H-imidazole-5-carboxylic acid, 4- (1-hydroxy-1-methylethyl) -2-propyl-ethyl ester, many points need to be paid attention to when storing and transporting.
First, temperature control is crucial. The properties of this compound may change due to temperature fluctuations. At high temperatures, it may cause decomposition and deterioration, which will damage its quality. Therefore, it should be stored in a cool place. Generally speaking, it should be controlled between 15 ° C and 25 ° C. During transportation, the temperature should also be kept constant. Temperature-controlled transportation equipment can be used to achieve this purpose.
Second, the impact of humidity should not be underestimated. Humid environment may cause the substance to absorb moisture, which in turn affects its chemical stability and purity. The storage place must be kept dry, and the relative humidity should be maintained at 40% to 60%. When transporting, it is also necessary to prevent the intrusion of external moisture. Moisture-proof packaging materials can be used, such as sealed plastic bags, moisture-proof cartons, etc.
Third, light will also have an effect on it. After some compounds are exposed to light, they may cause luminescent chemical reactions, resulting in structural changes. Therefore, when storing and transporting, they should avoid direct exposure to strong light, and should be stored in a dark place or in a light-shielded package.
Fourth, this substance may react with other substances, so when storing and transporting, it must not be co-located with oxidizing, reducing substances, acids, alkalis, etc., to prevent dangerous chemical reactions. And the packaging should be firmly sealed to avoid leakage. If it leaks or pollutes the environment, it may also cause harm to the human body. During transportation, be more careful to prevent collision and extrusion to avoid package damage.