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CS-W001157 4
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2-Methoxy-5-methylbenzoic acid

  • CAS No. 25045-36-7

  • Cat. No. CS-W007943
  • Purity≥97%
  • MDL No.MFCD00045849

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

2-Methoxy-5-methylbenzoic acid|CS-W007943

Structure of 25045-36-7

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General Information

  • CAS No. 25045-36-7
  • Cat. No. CS-W007943
  • Purity ≥97%
  • MDL No. MFCD00045849
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight 166.17
  • Synonym(s) 2-METHOXY-5-METHYLBENXOIC ACID
  • SMILES COC1=C(C=C(C)C=C1)C(O)=O

Description

2-Methoxy-5-methylbenzoic acid features a carboxylic acid group flanked by a methoxy and methyl substituent, offering enhanced solubility and stability under standard conditions. This ortho-substituted aromatic system enables selective derivatization in synthetic routes requiring electron-donating groups. The molecule integrates readily into pharmaceutical intermediates and functional materials where controlled polarity and steric profile are critical.

Application

2-Methoxy-5-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering a well-defined substitution pattern for further functionalization. Its carboxylic acid group enables direct coupling reactions, while the ortho-methoxy and meta-methyl substituents provide favorable electronic and steric profiles for downstream transformations. The compound exhibits good bench stability and facilitates efficient purification via recrystallization or chromatography.

Synthesis

  • Route1
    • In-stock
      4-Methylanisole|CS-W013551
      104-93-8
    • null|null
      201230-82-2
    • ~%
    • In-stock
      2-Methoxy-5-methylbenzoic acid|CS-W007943
      25045-36-7

    References

    • Chemical Communications, , # 4 p. 486 - 488
  • Route2

    References

    • Kahnberg, Pia; Lager, Erik; Rosenberg, Celia; Schougaard, Jette; Camet, Linda; Sterner, Olov; Nielsen, Elsebet stergaard; Nielsen, Mogens; Liljefors, Tommy Journal of Medicinal Chemistry, 2002 , vol. 45, # 19 p. 4188 - 4201
  • Route3
    • null|null
      124-38-9
    • In-stock
      2-Bromo-1-methoxy-4-methylbenzene|CS-W015569
      22002-45-5
    • ~78%
    • In-stock
      2-Methoxy-5-methylbenzoic acid|CS-W007943
      25045-36-7

    References

    • Torii, Sigeru; Tanaka, Hideo; Hamatani, Takeshi; Morisaki, Kazuo; Jutand, Anny; et al. Chemistry Letters, 1986 , p. 169 - 172

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-H319
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   46.53
  • LogP   1.70182
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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