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CS-W001157 4
Total: USD 88.00

3-Benzoylpropionic acid

  • CAS No. 2051-95-8

  • Cat. No. CS-W001943
  • Purity≥98%
  • MDL No.MFCD00002792

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

3-Benzoylpropionic acid|CS-W001943

Structure of 2051-95-8

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General Information

  • CAS No. 2051-95-8
  • Cat. No. CS-W001943
  • Purity ≥98%
  • MDL No. MFCD00002792
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₃
  • Molecular Weight 178.19
  • Synonym(s) None
  • SMILES O=C(C1=CC=CC=C1)CCC(O)=O

Application

3-Benzoylpropionic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of biologically relevant heterocyclic scaffolds and functionalized alkyl chains. Its α,β-unsaturated carbonyl system facilitates Michael additions and condensation reactions under mild conditions, while the carboxylic acid group allows for facile derivatization via esterification or amide formation. The compound exhibits good bench stability and is readily purified by recrystallization, supporting reliable integration into multi-step syntheses.

Synthesis

  • Route1

    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
      71-43-2
    • ~91%
    • In-stock
      3-Benzoylpropionic acid|CS-W001943
      2051-95-8

    References

    • Mahmoodi; Jazayri Synthetic Communications, 2001 , vol. 31, # 10 p. 1467 - 1475
  • Route3
    • null|null
      88670-16-0
    • ~5%
    • 4,5-Dihydro-6-phenyl-3(2H)-pyridazinone|CS-0034860
      1011-46-7
    • In-stock
      3-Benzoylpropionic acid|CS-W001943
      2051-95-8

    References

    • Tetrahedron Letters, , vol. 44, # 42 p. 7799 - 7801

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-P305+P351+P338-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.7341
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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