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CS-W001157 4
Total: USD 88.00

4-Hydroxy-3-methylbenzoic acid

  • CAS No. 499-76-3

  • Cat. No. CS-W002587
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00270105

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

4-Hydroxy-3-methylbenzoic acid|CS-W002587

Structure of 499-76-3

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General Information

  • CAS No. 499-76-3
  • Cat. No. CS-W002587
  • Purity ≥98%
  • MDL No. MFCD00270105
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃
  • Molecular Weight None
  • Synonym(s) None
  • SMILES OC(C1=CC=C(O)C(C)=C1)=O

Description

4-Hydroxy-3-methylbenzoic acid features a phenolic hydroxyl group ortho to a carboxylic acid, enabling versatile derivatization in synthetic and medicinal chemistry. The methyl substituent enhances electron density at the aromatic ring, supporting stable coupling reactions under standard conditions. This bench-stable, moisture-tolerant reagent integrates readily into complex molecular architectures.

Application

4-Hydroxy-3-methylbenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling efficient access to substituted aromatic scaffolds. Its ortho-hydroxyl and meta-methyl groups provide defined regiochemistry for derivatization, while the carboxylic acid functionality facilitates amide coupling, esterification, and metal complexation. The compound exhibits good bench stability and is readily purified by recrystallization, supporting its use in multi-step syntheses and process development workflows.

Synthesis

  • Route1
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      56-23-5
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      95-48-7
    • ~58%
    • In-stock
      4-Hydroxy-3-methylbenzoic acid|CS-W002587
      499-76-3

    References

    • Komiyama; Hirai Journal of the American Chemical Society, 1984 , vol. 106, # 1 p. 174 - 178
  • Route2

    References

    • ASTEX THERAPEUTICS LIMITED Patent: WO2007/72041 A1, 2007 ; Location in patent: Page/Page column 57 ; WO 2007/072041 A1
  • Route3
    • null|null
      56-23-5
    • null|null
      95-48-7
    • ~21%
    • In-stock
      4-Hydroxy-3-methylbenzoic acid|CS-W002587
      499-76-3
    • In-stock
      3-Methylsalicylic acid|CS-4909
      83-40-9

    References

    • Schall Chemische Berichte, 1879 , vol. 12, p. 818,821

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.39882
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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