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CS-W001157 4
Total: USD 88.00

4-Acetylbenzoic acid

  • CAS No. 586-89-0

  • Cat. No. CS-W001939
  • Purity≥95%
  • MDL No.MFCD00002561

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

4-Acetylbenzoic acid|CS-W001939

Structure of 586-89-0

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General Information

  • CAS No. 586-89-0
  • Cat. No. CS-W001939
  • Purity ≥95%
  • MDL No. MFCD00002561
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C(C)=O)C=C1

Description

4-Acetylbenzoic acid was used in the preparation of an ester-derivative of paclitaxel.

Application

4-Acetylbenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. Its dual functionality—carboxylic acid and ketone groups—supports sequential transformations, including amidation, esterification, and electrophilic substitution. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      4’-Bromoacetophenone|CS-W020546
      99-90-1
    • ~80%
    • In-stock
      4-Acetylbenzoic acid|CS-W001939
      586-89-0

    References

    • Sock, Oumar; Troupel, Michel; Perichon, Jacques Tetrahedron Letters, 1985 , vol. 26, # 12 p. 1509 - 1512
  • Route2
    • null|null
      201230-82-2
    • In-stock
      4’-Bromoacetophenone|CS-W020546
      99-90-1
    • ~88%
    • In-stock
      4-Acetylbenzoic acid|CS-W001939
      586-89-0

    References

    • Brunet, Jean-Jacques; Sidot, Christian; Caubere, Paul Journal of Organic Chemistry, 1983 , vol. 48, # 8 p. 1166 - 1171
  • Route3
    • null|null
      124-38-9
    • 1-(4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)phenyl)ethan-1-one|CS-0698671
      460088-33-9
    • ~99%
    • In-stock
      4-Acetylbenzoic acid|CS-W001939
      586-89-0

    References

    • Takaya, Jun; Tadami, Satoshi; Ukai, Kazutoshi; Iwasawa, Nobuharu Organic Letters, 2008 , vol. 10, # 13 p. 2697 - 2700

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   54.37
  • LogP   1.5874
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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