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CS-W001157 4
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4-Propionylbenzoic acid

  • CAS No. 4219-55-0

  • Cat. No. CS-0167795
  • Purity≥98%
  • MDL No.MFCD02260861

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

4-Propionylbenzoic acid|CS-0167795

Structure of 4219-55-0

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General Information

  • CAS No. 4219-55-0
  • Cat. No. CS-0167795
  • Purity ≥98%
  • MDL No. MFCD02260861
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.18
  • Synonym(s) 4-Propanoylbenzoic acid
  • SMILES O=C(O)C1=CC=C(C(CC)=O)C=C1

Description

4-Propionylbenzoic acid features a conjugated aromatic core with strategically positioned carbonyl groups, enabling efficient integration into pharmaceutical intermediates and functional materials. The para-substituted propionyl moiety enhances solubility and reactivity under standard conditions, while the carboxylic acid group facilitates coupling reactions without requiring protective groups.

Application

4-Propionylbenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted aromatic systems and heterocyclic scaffolds. Its dual functionality—carboxylic acid and ketone groups—supports diverse transformations including amidation, esterification, and electrophilic substitution. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • MEDIVIR AB; ODEN, Lourdes Salvadore; NILSSON, Magnus; KAHNBERG, Pia; SAMUELSSON, Bertil; GRABOWSKA, Urszula Patent: WO2010/34788 A1, 2010 ; Location in patent: Page/Page column 26 ;
  • Route2
    • null|null
      1004992-92-0
    • ~81%
    • In-stock
      4-Propionylbenzoic acid|CS-0167795
      4219-55-0

    References

    • Mannam, Sreedevi; Sekar Tetrahedron Letters, 2008 , vol. 49, # 15 p. 2457 - 2460
  • Route3
    • 1-(4-(Hydroxymethyl)phenyl)propan-1-one|CS-0825997
      352233-12-6
    • ~74%
    • In-stock
      4-Propionylbenzoic acid|CS-0167795
      4219-55-0

    References

    • Balint, Jozsef; Egri, Gabriella; Markovits, Imre; Czugler, Matyas; Marthi, Katalin; Demeter, Adam; Temesvari-Takacs, Krisztina; Fogassy, Elemer Tetrahedron Asymmetry, 2002 , vol. 12, # 24 p. 3417 - 3422

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.9775
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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