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CS-W001157 4
Total: USD 88.00

3-(4-Methylbenzoyl)propionic acid

  • CAS No. 4619-20-9

  • Cat. No. CS-0128424
  • Molecule weight192.21
  • Purity≥97%
  • MDL No.MFCD00020541

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

3-(4-Methylbenzoyl)propionic acid|CS-0128424

Structure of 4619-20-9

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General Information

  • CAS No. 4619-20-9
  • Cat. No. CS-0128424
  • Purity ≥97%
  • MDL No. MFCD00020541
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) 4-Oxo-4-(p-tolyl)butanoic acid
  • SMILES O=C(O)CCC(C1=CC=C(C)C=C1)=O

Application

3-(4-Methylbenzoyl)propionic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of bioactive heterocycles and pharmaceutical intermediates. Its conjugated aryl-ketone and carboxylic acid functionalities offer orthogonal reactivity for derivatization, while its bench-stable solid form facilitates handling and purification. The molecule functions effectively in standard coupling reactions and provides a rigid, electron-rich scaffold suitable for medicinal chemistry exploration.

Synthesis

  • Route1
    • (2e)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid|CS-0215927
      20972-36-5
    • ~99%
    • In-stock
      3-(4-Methylbenzoyl)propionic acid|CS-0128424
      4619-20-9

    References

    • Ikawa, Takashi; Sajiki, Hironao; Hirota, Kosaku Tetrahedron, 2005 , vol. 61, # 8 p. 2217 - 2231
  • Route2
    • In-stock
      Succinic anhydride|CS-0011581
      108-30-5
    • null|null
      108-88-3
    • ~94%
    • In-stock
      3-(4-Methylbenzoyl)propionic acid|CS-0128424
      4619-20-9

    References

    • Kim, Choung Un; Misco, Peter F.; Luh, Bing Y.; Mansuri, Muzammil M. Tetrahedron Letters, 1994 , vol. 35, # 19 p. 3017 - 3020
  • Route3
    • null|null
      78861-22-0
    • ~79%
    • In-stock
      3-(4-Methylbenzoyl)propionic acid|CS-0128424
      4619-20-9

    References

    • Bhat, K. S.; Rao, A. S. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 5 p. 355 - 358

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.04252
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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