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CS-W001157 4
Total: USD 88.00

3,5-Dimethyl-4-methoxybenzoic acid

  • CAS No. 21553-46-8

  • Cat. No. CS-W017202
  • Purity≥98%
  • MDL No.MFCD00020309

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

3,5-Dimethyl-4-methoxybenzoic acid|CS-W017202

Structure of 21553-46-8

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General Information

  • CAS No. 21553-46-8
  • Cat. No. CS-W017202
  • Purity ≥98%
  • MDL No. MFCD00020309
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) 4-methoxy-3,5-dimethylbenzoic acid
  • SMILES O=C(O)C1=CC(C)=C(OC)C(C)=C1

Description

3,5-Dimethyl-4-methoxybenzoic acid features a sterically hindered aromatic core with electron-donating methyl and methoxy groups, enhancing solubility and stability. This configuration supports direct functionalization in synthetic routes requiring robust, moisture-tolerant carboxylic acid handles.

Application

3,5-Dimethyl-4-methoxybenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering enhanced lipophilicity and metabolic stability due to its methyl and methoxy substituents. The carboxylic acid functionality enables straightforward derivatization via esterification, amide coupling, or activation for cross-coupling reactions. Its bench-stable, crystalline nature facilitates handling and purification, while the ortho-substituted aromatic core supports predictable reactivity in standard synthetic transformations.

Synthesis

  • Route1
    • 4-Methoxy-3,5-dimethylbenzonitrile|CS-0153722
      152775-45-6
    • ~98%
    • In-stock
      3,5-Dimethyl-4-methoxybenzoic acid|CS-W017202
      21553-46-8

    References

    • Almirall, S.A.; Erra Sola, Montserrat; Aguilar Izquierdo, Nuria; Carrascal Riera, Marta; Taboada Martinez, Lorena; Navarro Romero, Eloisa; Vidal Juan, Bernat Patent: EP2390252 A1, 2011 ; Location in patent: Paragraph 0449; 0450 ; EP 2390252 A1
  • Route2
    • 5-Allyl-2-methoxy-1,3-dimethylbenzene|CS-0580767
      53483-16-2
    • ~%
    • In-stock
      3,5-Dimethyl-4-methoxybenzoic acid|CS-W017202
      21553-46-8

    References

    • Helvetica Chimica Acta, , vol. 36, p. 489,496
  • Route3

    References

    • Journal of the Chemical Society, , p. 2455,246

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P280-P330-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.01024
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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