2 2 Propan 2 Yl Phenoxy Methyl 4 5 Dihydro 1h Imidazole
quinoline thiophene imidazole thiazole

2-{[2-(propan-2-yl)phenoxy]methyl}-4,5-dihydro-1H-imidazole

    Specifications

    HS Code

    170142

    Chemical Formula C15H20N2O
    Physical State Solid (predicted)
    Boiling Point 384.2°C at 760 mmHg (predicted)
    Melting Point 116 - 118°C
    Logp 3.09 (predicted)
    Water Solubility 0.00142 g/L at 25°C (predicted)
    Vapor Pressure 3.66E-06 mmHg at 25°C (predicted)
    Pka 7.68 (predicted)
    Flash Point 186.1°C (predicted)

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    What is the chemical structure of 2- {[2- (propan-2-yl) phenoxy] methyl} -4, 5-dihydro-1H-imidazole?
    This compound is named 2- { (2- (isopropyl) phenoxy) methyl]} -4,5-dihydro-1H-imidazole, and its chemical structure can be explained as follows.
    First, focusing on the core structure of "imidazole", 1H-imidazole is a five-membered heterocycle containing two nitrogen atoms, in which one nitrogen atom is at position 1, and 1H indicates that the hydrogen atom is attached to the nitrogen atom at position 1. "4,5-dihydro" indicates that the double bonds at positions 4 and 5 are reduced, that is, the carbon atoms at positions 4 and 5 are connected from the original double bonds to single bonds.
    Then, focus on the substituent of "2- { (2- (isopropyl) phenoxy) methyl]}". "2 -" means that the substituent is attached to the carbon atom at position 2 of the imidazole ring. " (2- (isopropyl) phenoxy) " means that the isopropyl group is connected at position 2 of the benzene ring, and the benzene ring is connected to other parts through oxygen atoms to form a phenoxy group. Finally, "[ (2- (isopropyl) phenoxy) methyl]" indicates that this phenoxy group is connected to position 2 of the imidazole ring through methylene (-CH -2 -). < Br >
    In this way, the chemical structure of this compound is clear, with the imidazole ring as the core, and the isopropyl-containing phenoxy group is connected by methylene at position 2, and the positions 4 and 5 are single-bonded.
    What are the physical properties of 2- {[2- (propan-2-yl) phenoxy] methyl} -4, 5-dihydro-1H-imidazole?
    2-%7B%5B2-%28propan-2-yl%29phenoxy%5Dmethyl%7D-4%2C5-dihydro-1H-imidazole is the English name of the chemical substance, which corresponds to the Chinese name of 2- {[2- (isopropyl) phenoxy] methyl} -4,5-dihydro-1H-imidazole. The physical properties of this substance are detailed as follows:
    1. ** Appearance and properties **: Under normal temperature and pressure, or white to light yellow crystalline powder. Looking at it, the powder is fine, uniform in quality, and may have a faint glow under light. This appearance property may be related to the arrangement of molecules and the crystalline structure.
    2. ** Melting point and boiling point **: The melting point is about [X] ° C. When the temperature rises to the melting point, the molecules gain enough energy and the lattice structure begins to disintegrate. The boiling point is expected to be [X] ° C. The level of the boiling point is closely related to the intermolecular force. The size of the intermolecular force of this substance determines the energy required to convert from liquid to gaseous.
    3. ** Solubility **: Slightly soluble in water, due to the weak molecular polarity of the substance, it is difficult to form a strong interaction with water molecules. However, it can be soluble in some organic solvents, such as ethanol, dichloromethane, etc. In ethanol, molecules and ethanol molecules can be dissolved by van der Waals forces and possible weak hydrogen bonds.
    4. ** Density **: The density is about [X] g/cm ³. Density reflects the density of molecules in a certain volume, and this value is related to the molecular weight and the way of intermolecular accumulation.
    5. ** Stability **: Under normal environmental conditions, the substance has certain stability. In case of strong oxidizing agents, strong acids or bases, or due to the attack of the active center of the chemical reaction, the structure changes. High temperature, high humidity environment may also affect its stability.
    What are the common uses of 2- {[2- (propan-2-yl) phenoxy] methyl} -4, 5-dihydro-1H-imidazole?
    2-%7B%5B2-%28propan-2-yl%29phenoxy%5Dmethyl%7D-4%2C5-dihydro-1H-imidazole is an organic compound with the following common uses.
    This compound is widely used in the field of medicinal chemistry. Due to its unique chemical structure, it is often used as a key intermediate in the process of drug development. By modifying and modifying its structure, drug molecules with diverse biological activities can be synthesized. For example, it can be used to develop small molecule inhibitors targeting specific disease targets, and by precisely acting on disease-related proteins or enzymes, it can regulate abnormal physiological processes in organisms, and then achieve the purpose of treating diseases.
    In the field of materials science, it may also have unique uses. Or it can be used as a building unit of functional materials, polymerized or cross-linked with other compounds through specific reactions, giving materials special properties. Such as improving the thermal stability, mechanical properties or optical properties of materials, so that materials can meet the needs of specific high-end fields such as aerospace and electronic devices.
    In organic synthetic chemistry, 2-%7B%5B2-%28propan-2-yl%29phenoxy%5Dmethyl%7D-4%2C5-dihydro-1H-imidazole is often used as an important synthetic block. With its active reaction check point in its structure, it can participate in a variety of organic reactions, such as nucleophilic substitution, electrophilic addition, etc., providing an effective path for the construction of more complex organic molecular structures, helping organic synthetic chemists to expand the structural diversity of compounds and promote the development of organic synthetic chemistry.
    What are the synthesis methods of 2- {[2- (propan-2-yl) phenoxy] methyl} -4, 5-dihydro-1H-imidazole?
    To prepare 2 - {[ (2 - (isopropyl) phenoxy] methyl} -4,5 -dihydro-1H -imidazole, the following method can be followed.
    First, use 2 - (isopropyl) phenol as the starting material and make it react with halogenated methyl reagents, such as chloromethyl methyl ether or bromomethyl methyl ether, in the presence of a base, such as potassium carbonate or sodium hydroxide, in a suitable solvent, such as acetone or acetonitrile, to obtain 2 - (isopropyl) phenoxy methyl ether. This is a nucleophilic substitution reaction. The oxygen of the phenolic hydroxyl group attacks the carbon of the halogenated methyl group. The halogen ion leaves, and then forms an ether bond. < Br >
    times, the prepared 2- (isopropyl) phenoxy methyl ether is co-reacted with glyoxal, ammonia or ammonium salt under suitable conditions. This reaction can be carried out in an alcohol solvent such as ethanol or methanol, heated and refluxed. After a condensation reaction, the carbonyl group of glyoxal bis is condensed and cyclized with ammonia to form a 4,5-dihydro-1H-imidazole ring system, and the final product is 2 - {[ (2 - (isopropyl) phenoxy] methyl} -4,5-dihydro-1H-imidazole.
    Or find another way, first react with glyoxal and ammonia or ammonium salt to obtain imidazoline intermediate, and then react with 2 - (isopropyl) phenoxy halomethane. The halogen atom of the halogenated methane is replaced by the nucleophilic of the imidazoline nitrogen atom, and the target compound can also be obtained. This method has its own advantages and disadvantages. In actual preparation, it is necessary to carefully choose according to the availability of raw materials, the difficulty of reaction conditions, and the high or low yield.
    2- {[2- (propan-2-yl) phenoxy] methyl} -4, what is the safety of 5-dihydro-1H-imidazole?
    2-%7B%5B2-%28propan-2-yl%29phenoxy%5Dmethyl%7D-4%2C5-dihydro-1H-imidazole, this is an organic compound. Its safety needs to be investigated in many ways.
    From the perspective of chemical structure, this compound contains specific functional groups, such as imidazole ring and isopropyl phenoxy methyl structure. Imidazole ring is common in many compounds, some of which are biologically active, but its activity varies greatly in different environments. Containing isopropyl phenoxy methyl moiety, the spatial hindrance of isopropyl group and the electronic effect of phenoxy group, or affect the stability and reactivity of the compound.
    In terms of stability, it may be relatively stable under normal environments, but may react chemically under high temperatures, strong acids and bases or specific catalysts. For example, at high temperatures, chemical bonds may be broken or rearranged; in strong acids and bases, functional groups may be destroyed, replaced or hydrolyzed.
    When it comes to toxicity, because there is no direct research data, it can only be speculated from similar structures. Compounds containing imidazole rings have certain biological activities, or can interact with targets in vivo. If it enters the organism, or binds to biological macromolecules such as proteins and nucleic acids, it interferes with normal physiological functions. The structure of isopropyl phenoxy methyl may affect the lipid solubility of the compound, causing it to easily penetrate the biofilm and increase the chance of contact with biological macromolecules. However, this is only speculation, and the exact toxicity needs to be verified experimentally.
    In terms of environmental impact, its degradability is difficult to determine after entering the environment. If it is difficult to degrade or accumulate in the environment, it has latent risk to the ecosystem. It may affect the structure and function of microbial community, hinder the flow of material circulation and energy in the ecosystem; if it enters the water body and soil, it may affect the growth and development of animals and plants.
    In summary, the safety of 2-%7B%5B2-%28propan-2-yl%29phenoxy%5Dmethyl%7D-4%2C5-dihydro-1H-imidazole is difficult to determine due to insufficient experimental data. To know for sure, rigorous experimental research is required to explore its potential impact on organisms and the environment from multiple dimensions such as chemical properties, toxicity, and environmental behavior.