Cas no 39928-74-0 (1-methyl-2-nitro-1H-Imidazole-5-carboxaldehyde)

1-Methyl-2-nitro-1H-imidazole-5-carboxaldehyde is a versatile heterocyclic compound featuring an imidazole core substituted with a nitro group and a formyl functional group. Its structural properties make it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The presence of both the nitro and aldehyde groups allows for selective functionalization, enabling the synthesis of more complex derivatives. This compound exhibits stability under standard conditions, facilitating handling and storage. Its reactivity and selectivity make it useful in medicinal chemistry for the development of bioactive molecules, including potential antimicrobial and antitumor agents. The compound is typically supplied with high purity to ensure consistent performance in synthetic applications.
1-methyl-2-nitro-1H-Imidazole-5-carboxaldehyde structure
39928-74-0 structure
Product Name:1-methyl-2-nitro-1H-Imidazole-5-carboxaldehyde
CAS No:39928-74-0
MF:C5H5N3O3
MW:155.111500501633
CID:925065
PubChem ID:100390
Update Time:2025-05-24

1-methyl-2-nitro-1H-Imidazole-5-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-methyl-2-nitro-1H-imidazole-5-carbaldehyde
    • 1-methyl-2-nitro-1H-Imidazole-5-carboxaldehyde
    • 3-methyl-2-nitroimidazole-4-carbaldehyde
    • 1-Methyl-2-nitro-5-imdazolaldehyd
    • 1-methyl-2-nitro-5-imidazolecarboxaldehyde
    • 1-Methyl-2-nitroimidazol-5-carboxaldehyd
    • 1-Methyl-2-nitro-imidazole-5-carboxaldehyde
    • 3-methyl-2-nitro-3H-imidazole-4-carbaldehyde
    • 5-Formyl-1-methyl-2-nitroimidazol
    • AC1L2ONA
    • AG-F-41135
    • BRN 0744488
    • CTK1C2590
    • Imidazole-5-carboxaldehyde, 1-methyl-2-nitro-
    • L 8711
    • NSC294741
    • 1-methyl-2-nitro-5-imidazolcarboxaldehyde
    • G75845
    • PTLILCRCEWAQGA-UHFFFAOYSA-N
    • Z3247585267
    • VJ56Z8E3S5
    • EN300-6501539
    • UNII-VJ56Z8E3S5
    • NSC-294741
    • DTXSID60192975
    • NSC 294741
    • DB-147625
    • SR-2525
    • L-8711
    • SCHEMBL11669063
    • 1-Methyl-2-nitro-5-imidazolaldehyde
    • 39928-74-0
    • CHEMBL3247250
    • 5-24-02-00096 (Beilstein Handbook Reference)
    • Inchi: 1S/C5H5N3O3/c1-7-4(3-9)2-6-5(7)8(10)11/h2-3H,1H3
    • InChI Key: PTLILCRCEWAQGA-UHFFFAOYSA-N
    • SMILES: O=CC1=CN=C([N+](=O)[O-])N1C

Computed Properties

  • Exact Mass: 155.03315
  • Monoisotopic Mass: 155.03309103g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 178
  • 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: -0.1
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • PSA: 78.03

1-methyl-2-nitro-1H-Imidazole-5-carboxaldehyde Pricemore >>

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Additional information on 1-methyl-2-nitro-1H-Imidazole-5-carboxaldehyde

Comprehensive Overview of 1-Methyl-2-nitro-1H-Imidazole-5-carboxaldehyde (CAS No. 39928-74-0)

1-Methyl-2-nitro-1H-Imidazole-5-carboxaldehyde (CAS No. 39928-74-0) is a specialized organic compound belonging to the imidazole family, widely recognized for its versatile applications in pharmaceutical and agrochemical research. This compound features a nitro group and an aldehyde functional group, making it a valuable intermediate in synthetic chemistry. Researchers and industries are increasingly interested in its potential due to its unique structural properties and reactivity.

The compound’s molecular formula and structure have been extensively studied to understand its role in the synthesis of heterocyclic compounds. Its imidazole core is particularly significant, as imidazole derivatives are known for their biological activity, including antimicrobial and anti-inflammatory properties. The presence of the nitro group further enhances its utility in redox reactions and as a precursor for more complex molecules.

In recent years, the demand for 1-Methyl-2-nitro-1H-Imidazole-5-carboxaldehyde has grown, particularly in the field of drug discovery. Its ability to serve as a building block for small molecule inhibitors and biologically active compounds has made it a focal point in medicinal chemistry. Researchers are exploring its potential in targeting specific enzymes or pathways, aligning with the growing trend of precision medicine and personalized therapeutics.

Another area of interest is its application in agrochemical development. The compound’s reactivity allows for the creation of novel pesticides and herbicides, addressing global challenges in sustainable agriculture. With increasing emphasis on green chemistry, scientists are investigating eco-friendly synthesis routes for this compound to minimize environmental impact.

From a technical perspective, 1-Methyl-2-nitro-1H-Imidazole-5-carboxaldehyde is typically characterized using advanced analytical techniques such as NMR spectroscopy, mass spectrometry, and HPLC. These methods ensure high purity and confirm its structural integrity, which is critical for research and industrial applications. The compound’s stability under various conditions is also a key consideration for storage and handling.

The compound’s relevance extends to material science, where its derivatives are explored for their electronic properties. Imidazole-based compounds are known for their potential in organic electronics, including OLEDs and conductive polymers. This interdisciplinary appeal highlights the compound’s versatility beyond traditional chemical applications.

As the scientific community continues to innovate, 1-Methyl-2-nitro-1H-Imidazole-5-carboxaldehyde remains a compound of significant interest. Its role in advancing pharmaceutical research, agrochemical innovation, and material science underscores its importance in modern chemistry. Future studies may uncover even broader applications, solidifying its position as a key player in synthetic and applied chemistry.

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