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CS-W001157 4
Total: USD 88.00

3-Methoxy-5-methylbenzoic acid

  • CAS No. 62089-34-3

  • Cat. No. CS-W018772
  • Purity≥98%
  • MDL No.MFCD12405314

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

3-Methoxy-5-methylbenzoic acid|CS-W018772

Structure of 62089-34-3

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General Information

  • CAS No. 62089-34-3
  • Cat. No. CS-W018772
  • Purity ≥98%
  • MDL No. MFCD12405314
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight 166.17
  • Synonym(s) Benzoic acid, 3-methoxy-5-methyl-
  • SMILES O=C(O)C1=CC(C)=CC(OC)=C1

Description

3-Methoxy-5-methylbenzoic acid features a carboxylic acid group flanked by a methoxy and methyl substituent, offering enhanced solubility and stability in organic synthesis. This ortho-substituted aromatic acid serves as a key building block for pharmaceutical intermediates and functional materials.

Application

3-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 methoxy and methyl substituents provide orthogonal handles for selective derivatization. The compound exhibits good bench stability and facilitates efficient purification via standard techniques, making it suitable for use in multistep syntheses and high-throughput screening campaigns.

Synthesis

  • Route1
    • In-stock
      3,5-Cresotic acid|CS-0030557
      585-81-9
    • null|null
      77-78-1
    • ~76%
    • In-stock
      3-Methoxy-5-methylbenzoic acid|CS-W018772
      62089-34-3

    References

    • Tamura, Yasumitsu; Fukata, Fumio; Sasho, Manabu; Tsugoshi, Teruhisa; Kita, Yasuyuki Journal of Organic Chemistry, 1985 , vol. 50, # 13 p. 2273 - 2277
  • Route2
    • In-stock
      3,5-Cresotic acid|CS-0030557
      585-81-9
    • null|null
      74-88-4
    • ~86%
    • In-stock
      3-Methoxy-5-methylbenzoic acid|CS-W018772
      62089-34-3

    References

    • De Frutos, Oscar; Echavarren, Antonio M. Tetrahedron Letters, 1996 , vol. 37, # 49 p. 8953 - 8956
  • Route3
    • Ethyl 3-methoxy-5-methylbenzoate|CS-0940266
      126922-33-6
    • ~%
    • In-stock
      3-Methoxy-5-methylbenzoic acid|CS-W018772
      62089-34-3

    References

    • Tetrahedron Letters, , vol. 30, # 38 p. 5093 - 5096

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

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