Cas no 35351-43-0 (5-methyl-1-benzofuran-2-carbonitrile)

5-Methyl-1-benzofuran-2-carbonitrile is a heterocyclic organic compound featuring a benzofuran core substituted with a methyl group at the 5-position and a nitrile functional group at the 2-position. This structure imparts reactivity suitable for applications in pharmaceutical and agrochemical synthesis, particularly as a versatile intermediate in the construction of more complex molecules. The nitrile group offers a handle for further functionalization, while the benzofuran scaffold contributes to its stability and potential bioactivity. Its well-defined synthetic route and high purity make it a reliable building block for research and industrial processes requiring precise molecular frameworks.
5-methyl-1-benzofuran-2-carbonitrile structure
35351-43-0 structure
Product Name:5-methyl-1-benzofuran-2-carbonitrile
CAS No:35351-43-0
MF:C10H7NO
MW:157.168682336807
MDL:MFCD11574554
CID:295587
PubChem ID:19994679
Update Time:2025-05-25

5-methyl-1-benzofuran-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Benzofurancarbonitrile,5-methyl-
    • SCHEMBL8025307
    • EN300-177926
    • CS-0237096
    • AKOS002679825
    • Z979493318
    • KFUGKHCNRKHFLN-UHFFFAOYSA-N
    • 5-Methylbenzofuran-2-carbonitrile
    • 35351-43-0
    • 5-methyl-1-benzofuran-2-carbonitrile
    • 5-Methyl-benzofuran-2-carbonitrile
    • MFCD11574554
    • MDL: MFCD11574554
    • Inchi: 1S/C10H7NO/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5H,1H3
    • InChI Key: KFUGKHCNRKHFLN-UHFFFAOYSA-N
    • SMILES: O1C(C#N)=CC2C=C(C)C=CC1=2

Computed Properties

  • Exact Mass: 157.05281
  • Monoisotopic Mass: 157.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 217
  • 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
  • Topological Polar Surface Area: 36.9A^2
  • XLogP3: 2.7

Experimental Properties

  • PSA: 36.93

5-methyl-1-benzofuran-2-carbonitrile Security Information

5-methyl-1-benzofuran-2-carbonitrile Pricemore >>

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Additional information on 5-methyl-1-benzofuran-2-carbonitrile

Recent Advances in the Study of 5-methyl-1-benzofuran-2-carbonitrile (CAS: 35351-43-0) in Chemical Biology and Pharmaceutical Research

The compound 5-methyl-1-benzofuran-2-carbonitrile (CAS: 35351-43-0) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in drug discovery and development. This heterocyclic compound, characterized by a benzofuran core substituted with a methyl group at the 5-position and a nitrile group at the 2-position, exhibits a unique combination of chemical reactivity and biological activity. Recent studies have explored its potential as a building block for the synthesis of novel bioactive molecules and as a lead compound for therapeutic applications.

One of the key areas of interest is the role of 5-methyl-1-benzofuran-2-carbonitrile in the development of kinase inhibitors. Kinases are critical targets in the treatment of various diseases, including cancer and inflammatory disorders. Researchers have demonstrated that derivatives of this compound can effectively modulate kinase activity, offering promising avenues for the design of selective inhibitors. For instance, a 2023 study published in the Journal of Medicinal Chemistry reported the synthesis and evaluation of a series of 5-methyl-1-benzofuran-2-carbonitrile derivatives, highlighting their potent inhibitory effects on specific kinases implicated in tumor growth.

In addition to its applications in kinase inhibition, 5-methyl-1-benzofuran-2-carbonitrile has been investigated for its antimicrobial properties. A recent study in Bioorganic & Medicinal Chemistry Letters described the synthesis of novel analogs and their evaluation against a panel of bacterial and fungal pathogens. The results indicated that certain derivatives exhibited broad-spectrum antimicrobial activity, with minimal cytotoxicity to mammalian cells, suggesting their potential as candidates for the development of new antibiotics.

The compound's structural features also make it a valuable intermediate in organic synthesis. Researchers have utilized 5-methyl-1-benzofuran-2-carbonitrile as a precursor for the construction of more complex heterocyclic systems, which are often found in pharmaceuticals. A 2022 study in Organic Letters detailed a novel synthetic route that leverages the reactivity of the nitrile group to generate diverse benzofuran-based scaffolds, further expanding the compound's utility in medicinal chemistry.

Despite these promising findings, challenges remain in optimizing the pharmacokinetic and pharmacodynamic properties of 5-methyl-1-benzofuran-2-carbonitrile derivatives. Recent efforts have focused on improving solubility, bioavailability, and target specificity through structural modifications. Computational modeling and high-throughput screening have played pivotal roles in identifying optimal derivatives, as reported in a 2023 ACS Chemical Biology article.

In conclusion, 5-methyl-1-benzofuran-2-carbonitrile (CAS: 35351-43-0) represents a versatile and promising scaffold in chemical biology and pharmaceutical research. Its applications in kinase inhibition, antimicrobial therapy, and organic synthesis underscore its potential as a valuable tool for drug discovery. Ongoing research aims to address existing challenges and further elucidate its mechanistic insights, paving the way for the development of novel therapeutics.

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