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CS-W001157 4
Total: USD 88.00

3-Acetoxybenzoic acid

  • CAS No. 6304-89-8

  • Cat. No. CS-W017221
  • Purity≥98%
  • MDL No.MFCD00016699

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

3-Acetoxybenzoic acid|CS-W017221

Structure of 6304-89-8

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General Information

  • CAS No. 6304-89-8
  • Cat. No. CS-W017221
  • Purity ≥98%
  • MDL No. MFCD00016699
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight 180.16
  • Synonym(s) m-acetoxybenzoicacid
  • SMILES O=C(O)C1=CC=CC(OC(C)=O)=C1

Description

3-Acetoxybenzoic acid features a carboxylic acid group flanked by an acetoxy substituent at the meta position, offering enhanced lipophilicity and metabolic stability. This structural motif enables direct incorporation into conjugation workflows, serving as a stable linker in bioconjugation and prodrug design under standard conditions.

Application

3-Acetoxybenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling direct access to substituted benzene derivatives through selective hydrolysis or further functionalization. Its acetoxy group provides orthogonal reactivity for downstream transformations, while the carboxylic acid facilitates coupling reactions under standard conditions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for use in medicinal chemistry campaigns and API intermediate synthesis.

Synthesis

  • Route1
    • null|null
      122-46-3
    • ~86%
    • In-stock
      3-Acetoxybenzoic acid|CS-W017221
      6304-89-8

    References

    • Gupta, Monika; Paul, Satya; Gupta, Rajive; Loupy, Andre Tetrahedron Letters, 2005 , vol. 46, # 30 p. 4957 - 4960
  • Route2
    • null|null
      108-24-7
    • In-stock
      3-Hydroxybenzoic acid|CS-W004049
      99-06-9
    • ~96%
    • In-stock
      3-Acetoxybenzoic acid|CS-W017221
      6304-89-8

    References

    • Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping Organometallics, 2010 , vol. 29, # 11 p. 2579 - 2587
  • Route3

    References

    • Kowa Co., Ltd. Patent: US6046212 A1, 2000 ;

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-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.3101
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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