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CS-W001157 4
Total: USD 88.00

Methyl 3-formylbenzoate

  • CAS No. 52178-50-4

  • Cat. No. CS-W002489
  • Purity≥97%
  • MDL No.MFCD00189379

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

Methyl 3-formylbenzoate|CS-W002489

Structure of 52178-50-4

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General Information

  • CAS No. 52178-50-4
  • Cat. No. CS-W002489
  • Purity ≥97%
  • MDL No. MFCD00189379
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) Methyl benzaldehyde-4-carboxylate
  • SMILES COC(=O)c1cccc(c1)C=O

Application

Methyl 3-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzaldehyde derivatives and heterocyclic scaffolds. The ortho-aldehyde and ester functionalities exhibit complementary reactivity, facilitating sequential transformations such as aldol condensations, Wittig reactions, and cyclizations. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for medicinal chemistry lead optimization and process-scale synthesis.

Synthesis

  • Route1
    • null|null
      201230-82-2
    • In-stock
      Methyl 3-iodobenzoate|CS-W004679
      618-91-7
    • ~89%
    • In-stock
      Methyl 3-formylbenzoate|CS-W002489
      52178-50-4

    References

    • Jiang, Jianwen; Wang, Pingping; Cai, Mingzhong Journal of Chemical Research, 2014 , vol. 38, # 4 p. 218 - 222
  • Route2
    • null|null
      201230-82-2
    • In-stock
      Methyl 3-iodobenzoate|CS-W004679
      618-91-7
    • ~67%
    • null|null
      93-58-3
    • In-stock
      Methyl 3-formylbenzoate|CS-W002489
      52178-50-4

    References

    • Baillargeon,V.P.; Stille,J.K. Journal of the American Chemical Society, 1986 , vol. 108, p. 452
  • Route3
    • null|null
      67-56-1
    • In-stock
      3-Formylbenzoic acid|CS-W001607
      619-21-6
    • ~89%
    • In-stock
      Methyl 3-formylbenzoate|CS-W002489
      52178-50-4

    References

    • Nishinaga, Tohru; Tanatani, Aya; Oh, Keunchan; Moore, Jeffrey S. Journal of the American Chemical Society, 2002 , vol. 124, # 21 p. 5934 - 5935

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.2857
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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