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CS-W001157 4
Total: USD 88.00

3-(Hydroxymethyl)benzoic acid

  • CAS No. 28286-79-5

  • Cat. No. CS-0067117
  • Purity≥95%
  • MDL No.MFCD06208242

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

3-(Hydroxymethyl)benzoic acid|CS-0067117

Structure of 28286-79-5

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General Information

  • CAS No. 28286-79-5
  • Cat. No. CS-0067117
  • Purity ≥95%
  • MDL No. MFCD06208242
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃
  • Molecular Weight None
  • Synonym(s) CHEMPACIFIC 41256
  • SMILES O=C(O)C1=CC=CC(CO)=C1

Description

3-(Hydroxymethyl)benzoic acid features a carboxylic acid group ortho to a hydroxymethyl substituent, enabling dual functionality for conjugation and derivatization. This configuration supports efficient integration into bioconjugation workflows and polymer architectures, offering enhanced solubility and stability under standard conditions.

Application

3-(Hydroxymethyl)benzoic acid serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at both the carboxylic acid and benzylic hydroxyl sites. Its stability under standard reaction conditions facilitates selective derivatization, including esterification, amidation, and oxidation to the corresponding aldehyde or carboxylic acid. The molecule functions as a key scaffold for heterocyclic systems and bioactive compound synthesis, offering orthogonal reactivity for modular molecular design.

Synthesis

  • Route1
    • Ethyl 3-(hydroxymethyl)benzoate|CS-1162863
      34841-13-9
    • ~99%
    • In-stock
      3-(Hydroxymethyl)benzoic acid|CS-0067117
      28286-79-5

    References

    • JE IL PHARMACEUTICAL CO., LTD. Patent: WO2004/113281 A1, 2004 ; Location in patent: Page 49-50 ;
  • Route2

    References

    • Glaxo Group Limited Patent: US2009/197871 A1, 2009 ; Location in patent: Page/Page column 84 ; US 20090197871 A1
  • Route3

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2009/15166 A1, 2009 ; Location in patent: Page/Page column 103 ; WO 2009/015166 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H318
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P310-P332+P313-P362+P364

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   0.8771
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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