Cas no 25364-42-5 (1-(2,6-diethylphenyl)-1H-imidazole)

1-(2,6-Diethylphenyl)-1H-imidazole is a substituted imidazole derivative characterized by its aromatic and heterocyclic structure. The compound features a phenyl ring with diethyl substituents at the 2- and 6-positions, enhancing steric and electronic properties, while the imidazole moiety provides a versatile nitrogen-rich scaffold. This structural configuration makes it valuable in coordination chemistry, catalysis, and pharmaceutical research, where tailored steric hindrance and electron density are critical. Its stability under various conditions and potential as a ligand or intermediate further underscore its utility in synthetic applications. The compound’s defined regiochemistry and purity ensure reproducibility in experimental and industrial settings.
1-(2,6-diethylphenyl)-1H-imidazole structure
25364-42-5 structure
Product Name:1-(2,6-diethylphenyl)-1H-imidazole
CAS No:25364-42-5
MF:C13H16N2
MW:200.279542922974
CID:1425339
PubChem ID:20471302
Update Time:2025-11-02

1-(2,6-diethylphenyl)-1H-imidazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole, 1-(2,6-diethylphenyl)-
    • AKOS034781953
    • Z971896562
    • 1-(2,6-diethylphenyl)imidazole
    • SCHEMBL11077561
    • 1-(2,6-diethylphenyl)-1H-imidazole
    • DA-43030
    • EN300-61835
    • 25364-42-5
    • Inchi: 1S/C13H16N2/c1-3-11-6-5-7-12(4-2)13(11)15-9-8-14-10-15/h5-10H,3-4H2,1-2H3
    • InChI Key: HLABUWOSYZYNKP-UHFFFAOYSA-N
    • SMILES: N1(C=NC=C1)C1C(=CC=CC=1CC)CC

Computed Properties

  • Exact Mass: 200.13148
  • Monoisotopic Mass: 200.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 343.6±31.0 °C at 760 mmHg
  • Flash Point: 161.6±24.8 °C
  • PSA: 17.82
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

1-(2,6-diethylphenyl)-1H-imidazole Security Information

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Additional information on 1-(2,6-diethylphenyl)-1H-imidazole

Comprehensive Overview of 1-(2,6-diethylphenyl)-1H-imidazole (CAS No. 25364-42-5): Properties, Applications, and Industry Insights

1-(2,6-diethylphenyl)-1H-imidazole (CAS No. 25364-42-5) is a specialized organic compound belonging to the imidazole class, characterized by its unique molecular structure featuring a diethylphenyl substituent. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its versatile chemical properties. With the rise of green chemistry and sustainable synthesis trends, researchers are increasingly exploring its potential as a catalyst intermediate or bioactive scaffold. The compound’s thermal stability and solubility profile make it suitable for applications in material science and fine chemical manufacturing.

Recent studies highlight the role of 1-(2,6-diethylphenyl)-1H-imidazole in drug discovery, particularly in modulating enzyme inhibition pathways. Its structural similarity to histidine derivatives allows interactions with biological targets, sparking interest in anticancer and antimicrobial research. Industry forums frequently discuss its optimization for high-yield synthesis, addressing challenges like regioselectivity and purity control. As computational chemistry advances, molecular docking simulations of this compound are being leveraged to predict its binding affinity, aligning with the demand for AI-driven drug design.

From an industrial perspective, CAS No. 25364-42-5 is often referenced in patents related to corrosion inhibitors and polymeric additives. Its electron-rich imidazole ring contributes to chelation properties, making it valuable in coating formulations. Environmental concerns have also prompted investigations into its biodegradability and eco-friendly alternatives, reflecting the broader shift toward circular economy principles. Analytical techniques such as HPLC and LC-MS are critical for quality assessment, ensuring compliance with REACH and FDA guidelines.

The compound’s nomenclature—1-(2,6-diethylphenyl)-1H-imidazole—often leads to searches for IUPAC naming rules or structural analogs. Common queries include its melting point (reported ~120–125°C) and solubility in polar solvents. Suppliers emphasize batch-to-batch consistency, while academic literature explores its crystallography data and spectroscopic fingerprints (e.g., NMR and IR spectra). As precision medicine gains traction, derivatives of this compound are being screened for personalized therapeutics, further driving its relevance.

Emerging discussions link 25364-42-5 to nanotechnology applications, where its surface modification potential is tested for nanoparticle stabilization. The compound’s synergistic effects with ionic liquids are another hot topic, particularly in electrolyte formulations for energy storage devices. Regulatory updates on halogen-free flame retardants have also spotlighted its derivatives as potential candidates, underscoring the need for structure-activity relationship (SAR) studies.

In summary, 1-(2,6-diethylphenyl)-1H-imidazole (CAS No. 25364-42-5) exemplifies the intersection of multidisciplinary chemistry and industrial innovation. Its adaptability across pharma, materials, and environmental science ensures sustained interest, while advancements in automated synthesis and big data analytics promise to unlock new functionalities. Researchers and manufacturers alike must stay abreast of evolving safety protocols and market trends to maximize its potential.

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