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CS-W001157 4
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3-Methylbenzofuran-2-carbaldehyde

  • CAS No. 1199-07-1

  • Cat. No. CS-0062595
  • Purity≥98%
  • MDL No.MFCD01459584

*For research and further manufacturing use only, not for direct human use.

3-Methylbenzofuran-2-carbaldehyde|CS-0062595

Structure of 1199-07-1

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General Information

  • CAS No. 1199-07-1
  • Cat. No. CS-0062595
  • Purity ≥98%
  • MDL No. MFCD01459584
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈O₂
  • Molecular Weight 160.17
  • Synonym(s) 3-Methyl-benzofuran-2-carbaldehyde
  • SMILES O=CC1=C(C)C2=CC=CC=C2O1

Description

3-Methylbenzofuran-2-carbaldehyde features a fused benzofuran core with a methyl substituent and a reactive aldehyde group. This electron-deficient heterocycle integrates readily into synthetic scaffolds, serving as a key building block for bioactive molecules. The aldehyde moiety enables efficient coupling reactions under mild conditions.

Application

3-Methylbenzofuran-2-carbaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocyclic scaffolds. Its aldehyde functionality facilitates standard transformations including reductive amination, Wittig reactions, and nucleophilic additions, while the benzofuran core provides structural rigidity and favorable pharmacokinetic properties. The methyl substituent enhances metabolic stability and offers a handle for further functionalization. This compound exhibits good bench stability and is readily purified by flash chromatography, making it well-suited for high-throughput synthesis and lead optimization campaigns.

Synthesis

  • Route1
    • 3-Methyl-2-benzofuranmethanol|CS-0021445
      55581-62-9
    • ~66%
    • In-stock
      3-Methylbenzofuran-2-carbaldehyde|CS-0062595
      1199-07-1

    References

    • Saari, Walfred S.; Wai, John S.; Fisher, Thorsten E.; Thomas, Craig M.; Hoffman, Jacob M.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 21 p. 3792 - 3802
  • Route2

    References

    • Saari, Walfred S.; Wai, John S.; Fisher, Thorsten E.; Thomas, Craig M.; Hoffman, Jacob M.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 21 p. 3792 - 3802
  • Route3

    References

    • Saari, Walfred S.; Wai, John S.; Fisher, Thorsten E.; Thomas, Craig M.; Hoffman, Jacob M.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 21 p. 3792 - 3802

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS03,GHS05
Signal Word : Danger
UN#: 1479
Class : 5.1
Packing Group : Ⅲ
Hazard Statements : H272-H314
Precautionary Statements : P210-P220-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   30.21
  • LogP   2.55372
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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