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CS-W001157 4
Total: USD 88.00

4-Formyl-2-methylbenzoic acid

  • CAS No. 503470-23-3

  • Cat. No. CS-0112527
  • Molecule weight164.16
  • Purity≥97%
  • MDL No.MFCD20646141

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

4-Formyl-2-methylbenzoic acid|CS-0112527

Structure of 503470-23-3

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General Information

  • CAS No. 503470-23-3
  • Cat. No. CS-0112527
  • Purity ≥97%
  • MDL No. MFCD20646141
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) 4-formyl-2-methoxyphenyl p-chlorobenzoate
  • SMILES O=C(O)C1=CC=C(C=O)C=C1C

Description

4-Formyl-2-methylbenzoic acid features a strategically positioned aldehyde and carboxylic acid group flanking a methyl-substituted aromatic ring, enabling direct coupling in multi-component syntheses. This ortho-disubstituted scaffold supports efficient derivatization for bioconjugation, materials assembly, and heterocycle formation under standard conditions.

Application

4-Formyl-2-methylbenzoic acid serves as a versatile bifunctional building block for the synthesis of heterocyclic scaffolds and bioactive molecules. Its ortho-methyl and para-aldehyde groups enable sequential functionalization, while the carboxylic acid facilitates derivatization via amide coupling or esterification. The compound exhibits good bench stability and is compatible with standard purification methods, making it suitable for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1
    • In-stock
      4-Bromo-2-methylbenzoic acid|CS-W004863
      68837-59-2
    • null|null
      68-12-2
    • ~47%
    • In-stock
      4-Formyl-2-methylbenzoic acid|CS-0112527
      503470-23-3

    References

    • EXELIXIS, INC. Patent: WO2009/55077 A1, 2009 ; Location in patent: Page/Page column 383-384 ;
  • Route2

    References

    • Dow AgroSciences LLC; Lo, William C.; Hunter, James E.; Watson, Gerald B.; Patny, Akshay; Iyer, Pravin S.; Boruwa, Joshodeep Patent: US2014/171312 A1, 2014 ; Location in patent: Page/Page column ;

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   54.37
  • LogP   1.50572
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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