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CS-W001157 4
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Methyl 3-Hydroxy-4-methylbenzoate

  • CAS No. 3556-86-3

  • Cat. No. CS-0099370
  • Purity≥98%
  • MDL No.MFCD00213808

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

Methyl 3-Hydroxy-4-methylbenzoate|CS-0099370

Structure of 3556-86-3

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General Information

  • CAS No. 3556-86-3
  • Cat. No. CS-0099370
  • Purity ≥98%
  • MDL No. MFCD00213808
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight 166.17
  • Synonym(s) 3-hydroxy-4-methylbenzoate
  • SMILES O=C(C1=CC=C(C(O)=C1)C)OC

Description

Methyl 3-hydroxy-4-methylbenzoate features a hydroxyl group ortho to the ester and a methyl substituent at the para position, enabling selective derivatization in synthetic sequences. This electron-rich aromatic scaffold supports efficient coupling reactions under mild conditions and exhibits enhanced solubility in polar organic solvents.

Application

Methyl 3-hydroxy-4-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzoic acid derivatives and heterocyclic scaffolds. The ortho-hydroxyl and methyl groups provide complementary sites for selective functionalization, while the ester moiety supports transformations such as hydrolysis, reduction, or coupling reactions. Bench-stable and amenable to standard purification techniques, it facilitates reliable downstream synthesis in medicinal chemistry and materials development.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Hydroxy-4-methylbenzoic acid|CS-0008323
      586-30-1
    • ~99%
    • In-stock
      Methyl 3-Hydroxy-4-methylbenzoate|CS-0099370
      3556-86-3

    References

    • Payne, Richard J.; Bulloch, Esther M.M.; Abell, Andrew D.; Abell, Chris Organic and Biomolecular Chemistry, 2005 , vol. 3, # 20 p. 3629 - 3635
  • Route2

    References

    • Sumitomo Pharmaceuticals Company, Limited Patent: EP1479384 A1, 2004 ;
  • Route3
    • null|null
      186581-53-3
    • In-stock
      3-Hydroxy-4-methylbenzoic acid|CS-0008323
      586-30-1
    • ~%
    • In-stock
      Methyl 3-Hydroxy-4-methylbenzoate|CS-0099370
      3556-86-3

    References

    • US5238958 A1, ; US 5238958 A

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-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.48722
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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