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CS-W001157 4
Total: USD 88.00

3-Hydroxy-2-methylbenzoic acid

  • CAS No. 603-80-5

  • Cat. No. CS-W019788
  • Purity≥98%
  • MDL No.MFCD00671541

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

3-Hydroxy-2-methylbenzoic acid|CS-W019788

Structure of 603-80-5

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General Information

  • CAS No. 603-80-5
  • Cat. No. CS-W019788
  • Purity ≥98%
  • MDL No. MFCD00671541
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃
  • Molecular Weight 152.15
  • Synonym(s) Hydroxytoluicacid; 3-Hydroxy-2-methylbenzoic acid
  • SMILES O=C(O)C1=CC=CC(O)=C1C

Description

3-Hydroxy-2-methylbenzoic acid features a benzene ring bearing ortho-hydroxyl and methyl groups adjacent to a carboxylic acid, enabling direct functionalization in synthetic routes. This arrangement imparts enhanced solubility in polar solvents and facilitates coordination in metal-ligand systems. The molecule's stability under standard conditions supports its use in pharmaceutical intermediates and fine chemical synthesis.

Application

3-Hydroxy-2-methylbenzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling direct access to substituted benzoxazoles and other heterocyclic scaffolds via cyclization. Its ortho-hydroxycarboxylic acid motif facilitates efficient intramolecular esterification and metal-catalyzed coupling reactions. The methyl group provides a handle for selective functionalization, while the compound exhibits good bench stability and ease of purification, making it suitable for scalable applications in medicinal chemistry workflows.

Synthesis

  • Route1

    References

    • Syntex (U.S.A.) LLC Patent: US6335/459 B1, 2002 ; Location in patent: Page column 29 ; Title/Abstract Full Text Show Details Syntex (U.S.A.) LLC Patent: US6335459 B1, 2002 ; Location in patent: Page column 29 ; US 6335459 B1
  • Route2
    • null|null
      170240-13-8
    • ~78%
    • In-stock
      3-Hydroxy-2-methylbenzoic acid|CS-W019788
      603-80-5

    References

    • Rohm and Haas Company Patent: US6288260 B1, 2001 ;
  • Route3

    References

    • US6124500 A1, ;

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

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