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CS-W001157 4
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Ethyl 4-formylbenzoate

  • CAS No. 6287-86-1

  • Cat. No. CS-0097281
  • Purity≥97%
  • MDL No.MFCD00460463

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

Ethyl 4-formylbenzoate|CS-0097281

Structure of 6287-86-1

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General Information

  • CAS No. 6287-86-1
  • Cat. No. CS-0097281
  • Purity ≥97%
  • MDL No. MFCD00460463
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.18
  • Synonym(s) [4-ethoxycarbonylphenyl]methanone
  • SMILES O=C(OCC)C1=CC=C(C=O)C=C1

Description

Ethyl 4-formylbenzoate features a para-aldehyde functional group on an aromatic ring, enabling direct incorporation into conjugation and coupling reactions. This bench-stable reagent integrates readily into synthetic pathways requiring electrophilic carbonyl handles, offering predictable reactivity in multistep organic transformations.

Application

Ethyl 4-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. The aldehyde and ester groups provide orthogonal reactivity for sequential transformations, including Wittig reactions, nucleophilic additions, and coupling processes. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for medicinal chemistry lead optimization and heterocycle synthesis.

Synthesis

  • Route1
    • null|null
      74-96-4
    • In-stock
      4-Formylbenzoic acid|CS-W018162
      619-66-9
    • ~97%
    • In-stock
      Ethyl 4-formylbenzoate|CS-0097281
      6287-86-1

    References

    • SCHERING CORPORATION Patent: WO2008/130584 A1, 2008 ; Location in patent: Page/Page column 145 ; WO 2008/130584 A1
  • Route2
    • null|null
      64-17-5
    • In-stock
      4-Formylbenzoic acid|CS-W018162
      619-66-9
    • ~84%
    • In-stock
      Ethyl 4-formylbenzoate|CS-0097281
      6287-86-1

    References

    • National University Corporation Nara Institute of Science and Technology Patent: US2007/224529 A1, 2007 ; Location in patent: Page/Page column 23 ;
  • Route3

    References

    • Chandrasekhar, Sosale; Sridhar, Malayalam Tetrahedron Letters, 2000 , vol. 41, # 28 p. 5423 - 5425

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.6758
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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