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What is the chemical structure of 1H-Imidazole, 2-methyl-1- (phenylmethyl) -?
1H-imidazole, 2-methyl-1- (phenylmethyl), this is the name of an organic compound. To know its chemical structure, please listen to me in detail.
Imidazole is a five-membered nitrogen-containing heterocyclic compound with two nitrogen atoms in a ring, in a conjugated system, its structure is stable and has certain aromatic properties.
On this basis, 2-methyl-1- (phenylmethyl) is modified with a substituent. 2-methyl, that is, a methyl group is introduced at position 2 of the imidazole ring. The methyl group is methane without one hydrogen atom and consists of one carbon atom and three hydrogen atoms. 1 - (phenylmethyl) is connected to phenylmethyl at position 1 of the imidazole ring. Phenylmethyl, also known as benzyl, is formed by removing one hydrogen atom from the benzene ring and connecting it to methylene. The benzene ring is a planar ring structure composed of six carbon atoms, which has unique aromatic properties; the methylene is composed of one carbon atom and two hydrogen atoms.
In summary, the chemical structure of 1H-imidazole, 2-methyl-1 - (phenylmethyl), with the imidazole ring as the core, is connected to methyl at position 2 and benzyl at position 1. This unique structure may endow the compound with specific chemical and physical properties, and may have potential application value in organic synthesis, medicinal chemistry and other fields.
1H-Imidazole, 2-methyl-1- (phenylmethyl) - What are the physical properties of
2-Methyl-1- (phenylmethyl) -1H-imidazole, this is an organic compound. It has several unique physical properties.
Looking at its properties, it may be a crystalline solid under normal conditions, which is caused by the force between molecules. In the molecular structure, phenylmethyl is connected to the imidazole ring, giving it a certain rigidity and symmetry, which promotes the orderly arrangement of molecules and is easy to form crystals.
In terms of melting point, due to the presence of benzene ring and methyl group, the intermolecular interaction is increased, and the melting point is relatively high. The electron-giving effect of methyl groups and the conjugation effect of benzene rings enhance the intermolecular force. More energy is required to overcome this force before the substance can be converted from solid to liquid, so the melting point is increased.
In terms of solubility, because of its lipophilic phenyl methyl part, it shows a certain solubility in organic solvents such as ethanol and ether. The imidazole ring has a certain polarity and may be slightly soluble in water. However, due to the large proportion of lipophilic parts in the whole molecule, the solubility in water is limited, and the solubility in organic solvents is relatively good. The boiling point of
also increases due to the increase of intermolecular forces. The synergistic effect of the benzene ring and the methyl group makes the molecules bond more tightly, and a higher temperature is required to provide enough energy to make the molecules break free from each other and realize the transition from liquid to gaseous.
In terms of density, due to the compact molecular structure and relatively dense atomic arrangement, its density is slightly larger than that of common hydrocarbons. The fused structure of the benzene ring and the imidazole ring, as well as the space occupation of the methyl group, increases the mass of the substance per unit volume, showing a relatively large density.
1H-Imidazole, 2-methyl-1- (phenylmethyl) - in which fields is it used?
2-Methyl-1- (phenylmethyl) -1H-imidazole is used in various fields. In the field of medicine, it can be used as a key raw material for drug synthesis. Due to its unique chemical structure and activity, it can introduce drug molecules through specific reactions to change the pharmacological properties of compounds, improve efficacy, or reduce toxic and side effects. For example, the creation of some new anti-infective drugs can optimize the mechanism of drug action against pathogens.
In the field of materials science, it also has its traces. It can be used as an additive for special functional materials, such as in the modification of polymer materials, adding this imidazole compound can improve the thermal stability and mechanical properties of materials. Due to its interaction with the polymer chain, the internal structure of the material can be adjusted to optimize the performance. For example, when preparing high-performance engineering plastics, appropriate addition can improve the anti-aging and wear resistance of the plastic.
Furthermore, in the field of catalysis, 2-methyl-1- (phenylmethyl) -1H-imidazole can act as a ligand to complex with metal ions to construct a high-efficiency catalyst. Its coordination ability can adjust the electron cloud density and spatial structure of the active center of the metal, enhancing the selectivity and activity of the catalyst. In organic synthesis reactions, such catalysts can promote the reaction to proceed gently and improve the yield of the target product. For example, in the carbon-carbon bond formation reaction, it exhibits excellent catalytic efficiency and promotes the efficient occurrence of the reaction.
What are the synthesis methods of 1H-Imidazole, 2-methyl-1- (phenylmethyl) -?
The synthesis of 2-methyl-1- (phenylmethyl) -1H-imidazole is an important research topic in the field of organic synthesis. The common synthesis paths are described in detail below, in the style of ancient French proverbs.
First, it can be obtained by the interaction of benzyl halide and 2-methylimidazole under suitable reaction conditions. This reaction requires an appropriate solvent, such as ethanol, acetone, etc., so that the two can be uniformly mixed to promote the reaction. During the reaction, the temperature needs to be strictly controlled, usually under the state of heating and reflux, before the nucleophilic substitution reaction can effectively occur. The halogen atom of the halide is active and easy to be attacked by the nucleophilic nitrogen atom of 2-methylimidazole, so a carbon-nitrogen bond is formed, and then the target product is formed. During the reaction process, it can be monitored by thin-layer chromatography and other means. When the raw material is exhausted, the reaction is stopped. Subsequent steps such as extraction, washing, drying, and column chromatography are used to purify the product.
Second, 2-methylimidazole is used as the starting material, and first interacts with a strong base such as sodium hydride to deprotonate the imidazole nitrogen atom to generate the corresponding nitrogen anion. This negative ion has strong nucleophilicity, and then encounters with benzyl halide, a nucleophilic substitution reaction can occur rapidly. The key to this method is that the reaction environment needs to be anhydrous and oxygen-free to avoid side reactions between nitrogen anions and water or oxygen. After the reaction is completed, the treatment method is similar to the former. After a series of separation and purification operations, pure 2-methyl-1- (phenylmethyl) -1H-imidazole can be obtained.
There is also a multi-component reaction method using aldehyde, amine and 2-methylimidazole as raw materials under the catalysis of a specific catalyst. This reaction condition is relatively mild and does not require a harsh anhydrous and oxygen-free environment. Aldides and amines first condense to form an imine intermediate, and then the intermediate cyclizes with 2-methylimidazole to form the target product. The advantage of this method is that the atomic economy is high and the steps are relatively simple. However, it is also necessary to pay attention to the selection of suitable catalysts and reaction conditions to improve the yield and purity of the product. After the reaction, the pure target compound can be obtained according to the conventional separation and purification process.
What is the safety of 1H-Imidazole, 2-methyl-1- (phenylmethyl) -?
2-Methyl-1- (phenylmethyl) -1H-imidazole, this is an organic compound. Looking at its safety, it needs to be analyzed from multiple aspects.
First of all, its physical characteristics, under room temperature, or solid or liquid, color and taste vary according to the specific purity and environment. If not handled properly, such as spilling on the ground, or because of its special properties cause the ground to be slippery, causing people to fall and injured.
In terms of chemical properties, this compound may have certain activity. In case of open flames and hot topics, there is a risk of combustion and explosion. Encounter with strong oxidants, or react violently, producing dangerous products. And some groups in its chemical structure, or interact with specific chemical substances, if mixed incorrectly, it is easy to cause danger.
In terms of health effects, human contact may have different consequences. Skin contact, or cause allergies, redness, swelling, itching. If not carefully into the eyes, it will hurt the eye tissue and damage the vision. Inhaling its volatile gas, irritating the respiratory tract, causing cough, asthma, and even causing lung diseases. If eaten by mistake, it will damage the digestive system, causing nausea, vomiting, abdominal pain, and life-threatening in severe cases.
However, its safety is not completely terrifying. As long as it is handled in a well-ventilated place according to standard operations, equipped with suitable protective equipment, such as gloves, goggles, gas masks, etc., the risk can be reduced. When storing, keep it in a cool, dry and ventilated place, separate from contraindications, and keep it safe. In short, knowing its characteristics and operating with caution, 2-methyl-1- (phenylmethyl) -1H-imidazole can be used safely.