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CS-W001157 4
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Methyl 3,4-dihydroxy-2-methylbenzoate

  • CAS No. 740799-82-0

  • Cat. No. CS-B0954
  • Purity≥98%
  • MDL No.MFCD16250128

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

Methyl 3,4-dihydroxy-2-methylbenzoate|CS-B0954

Structure of 740799-82-0

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General Information

  • CAS No. 740799-82-0
  • Cat. No. CS-B0954
  • Purity ≥98%
  • MDL No. MFCD16250128
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₄
  • Molecular Weight 182.17
  • Synonym(s) 3,4-Dihydroxy-2-methylbenzoic Acid Methyl Ester
  • SMILES O=C(OC)C1=CC=C(O)C(O)=C1C

Description

Methyl 3,4-dihydroxy-2-methylbenzoate features a methyl ester group flanked by two hydroxyls and a methyl substituent on the aromatic ring, enabling direct incorporation into complex phenolic scaffolds. This ortho-hydroxyalkylated motif offers enhanced solubility and stability in polar reaction media, facilitating use in synthetic pathways requiring controlled reactivity.

Application

Methyl 3,4-dihydroxy-2-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling the construction of bioactive heterocycles and natural product analogs. Its ortho-dihydroxy (catechol) functionality facilitates metal-catalyzed coupling reactions and oxidative transformations, while the methyl ester group offers compatibility with standard reduction and functionalization protocols. The molecule exhibits good bench stability and is amenable to purification via recrystallization or flash chromatography, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

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

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   1.19282
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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