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CS-W001157 4
Total: USD 88.00

4-Methoxy-2-nitrobenzoic acid

  • CAS No. 33844-21-2

  • Cat. No. CS-W001541
  • Purity≥96%
  • MDL No.MFCD04972109

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

4-Methoxy-2-nitrobenzoic acid|CS-W001541

Structure of 33844-21-2

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General Information

  • CAS No. 33844-21-2
  • Cat. No. CS-W001541
  • Purity ≥96%
  • MDL No. MFCD04972109
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight 197.14
  • Synonym(s) benzoic acid, 4-methoxy-2-nitro-
  • SMILES O=C(O)C1=CC=C(OC)C=C1[N+]([O-])=O

Description

4-Methoxy-2-nitrobenzoic acid features a para-methoxy group and an ortho-nitro substituent on the benzoic acid scaffold, creating a highly electron-deficient aromatic core. This structural arrangement enhances reactivity in coupling reactions and facilitates efficient derivatization under mild conditions. The molecule exhibits excellent stability and solubility in common organic solvents, enabling straightforward integration into synthetic workflows for pharmaceutical intermediates and functional materials.

Application

4-Methoxy-2-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic systems. Its ortho-nitro and para-methoxy substituents provide complementary reactivity for selective transformations, including reduction of the nitro group to an amine or coupling via the carboxylic acid. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in multistep syntheses of heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1

    References

    • US5599814 A1, ;
  • Route2

    References

    • US5665719 A1, ; US 5665719 A
  • Route3
    • In-stock
      4-Methoxy-2-nitrobenzaldehyde|CS-W004716
      22996-21-0
    • ~%
    • In-stock
      4-Methoxy-2-nitrobenzoic acid|CS-W001541
      33844-21-2
    • null|null
      141080-74-2

    References

    • Journal of Fluorine Chemistry, , vol. 128, # 12 p. 1461 - 1468

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+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   1.3016
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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