Cas no 39269-74-4 (1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)-)

1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- is a substituted imidazole derivative featuring a benzyl group at the 1-position and a formyl functional group at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and heterocyclic compounds. Its aldehyde functionality allows for further derivatization via condensation or nucleophilic addition reactions, while the imidazole core contributes to its utility in medicinal chemistry. The benzyl substituent enhances solubility in organic solvents, facilitating its use in cross-coupling and other synthetic transformations. This product is characterized by high purity and stability, making it suitable for research and industrial applications requiring precise chemical building blocks.
1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- structure
39269-74-4 structure
Product Name:1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)-
CAS No:39269-74-4
MF:C12H12N2O
MW:200.236482620239
CID:322098
PubChem ID:304330
Update Time:2025-11-02

1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)-
    • 3-benzyl-2-methylimidazole-4-carbaldehyde
    • 1-benzyl-2-methyl-1H-imidazole-5-carbaldehyde
    • 1-Benzyl-2-methylimidazol-5-carboxaldehyd
    • 1-Benzyl-5-formyl-2-methylimidazole
    • 3-benzyl-2-methyl-3H-imidazole-4-carbaldehyde
    • AC1L74QQ
    • NSC195982
    • 39269-74-4
    • SCHEMBL6104023
    • OYWXYRRKTGPYJB-UHFFFAOYSA-N
    • DTXSID10307870
    • NSC-195982
    • 2-Methyl-1-(phenylmethyl)-1H-imidazole-5-carboxaldehyde
    • SYZ9TAB7M5
    • G74578
    • 1H-Imidazole-5-carboxaldehyde, 2-methyl-1-(phenylmethyl)-
    • 1-Benzyl-2-methylimidazole-5-carboxaldehyde
    • DS-021447
    • Inchi: 1S/C12H12N2O/c1-10-13-7-12(9-15)14(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
    • InChI Key: OYWXYRRKTGPYJB-UHFFFAOYSA-N
    • SMILES: O=CC1=CN=C(C)N1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 200.09506
  • Monoisotopic Mass: 200.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 214
  • 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: 1.8
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • Density: 1.1
  • Boiling Point: 370.9°C at 760 mmHg
  • Flash Point: 178.1°C
  • Refractive Index: 1.583
  • PSA: 34.89
  • LogP: 2.05230

1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- Pricemore >>

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Additional information on 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)-

Comprehensive Overview of 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- (CAS No. 39269-74-4)

1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- (CAS No. 39269-74-4) is a specialized organic compound belonging to the imidazole family. This compound has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties and versatile applications. The presence of both an aldehyde and a phenylmethyl group in its structure makes it a valuable intermediate in the synthesis of various biologically active molecules.

The molecular formula of 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- is C12H12N2O, and its molecular weight is 200.24 g/mol. The compound exhibits a pale yellow to white crystalline appearance under standard conditions. Its solubility profile includes moderate solubility in polar organic solvents such as dimethyl sulfoxide (DMSO) and methanol, while being sparingly soluble in water. These properties make it suitable for various synthetic applications in controlled environments.

One of the most notable applications of 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- is its role as a key intermediate in the synthesis of heterocyclic compounds. Researchers have utilized this compound to develop novel pharmaceutical agents, particularly in the fields of anti-inflammatory and antimicrobial drug discovery. Its structural motif is often incorporated into larger molecular frameworks to enhance binding affinity and selectivity toward biological targets.

In recent years, the demand for imidazole-based compounds like 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- has surged due to their relevance in drug discovery and material science. The compound's ability to act as a building block for more complex structures has made it a focal point in medicinal chemistry. Additionally, its derivatives have shown promise in catalysis and polymer chemistry, further expanding its utility across multiple industries.

From a market perspective, 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- is primarily supplied by specialized chemical manufacturers catering to the pharmaceutical and agrochemical sectors. The compound is typically available in small to medium quantities, with purity levels ranging from 95% to 99%. Pricing trends indicate a steady increase in demand, driven by its growing applications in high-value chemical synthesis.

For researchers and industry professionals, handling 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- requires adherence to standard laboratory safety protocols. While the compound is not classified as hazardous under normal conditions, proper storage in a cool, dry environment is recommended to maintain its stability. Its shelf life can be extended by storing it under inert atmospheres such as argon or nitrogen.

The synthesis of 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- typically involves multi-step organic reactions, including condensation and oxidation processes. Advanced techniques such as microwave-assisted synthesis have been explored to improve yield and efficiency. These innovations align with the broader trend of green chemistry, where reducing waste and energy consumption is prioritized.

Looking ahead, the future of 1H-Imidazole-5-carboxaldehyde,2-methyl-1-(phenylmethyl)- appears promising, with ongoing research exploring its potential in bioactive molecule design and functional materials. As the scientific community continues to uncover new applications, this compound is poised to remain a critical tool in chemical innovation.

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