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CS-W001157 4
Total: USD 88.00

4-Amino-2,3-dimethylbenzoic acid

  • CAS No. 5628-44-4

  • Cat. No. CS-0028787
  • Molecule weight165.19
  • Purity≥95%
  • MDL No.MFCD04114099

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

4-Amino-2,3-dimethylbenzoic acid|CS-0028787

Structure of 5628-44-4

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General Information

  • CAS No. 5628-44-4
  • Cat. No. CS-0028787
  • Purity ≥95%
  • MDL No. MFCD04114099
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) 4-AMINO-2,3-DIMETHYL-BENZOIC ACID
  • SMILES O=C(O)C1=CC=C(N)C(C)=C1C

Description

4-Amino-2,3-dimethylbenzoic acid features a conjugated aromatic core with complementary electron-donating amine and methyl groups, enhancing solubility and reactivity. This bench-stable derivative integrates readily into synthetic sequences requiring polar, sterically shielded carboxylic acid functionality.

Application

4-Amino-2,3-dimethylbenzoic acid serves as a versatile building block in medicinal chemistry and synthetic organic research. Its ortho-dimethyl substitution pattern enhances metabolic stability, while the amino and carboxylic acid functionalities enable diverse derivatization—facilitating amide coupling, acylation, and salt formation. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for use in API intermediate synthesis and heterocyclic scaffold construction.

Synthesis

  • Route1
    • 2,3-Dimethyl-4-nitrobenzoic acid|CS-1156076
      90564-15-1
    • ~%
    • In-stock
      4-Amino-2,3-dimethylbenzoic acid|CS-0028787
      5628-44-4

    References

    • Bulletin de la Societe Chimique de France, , p. 1813 - 1817
  • Route2
    • 2,3-Dimethyl-4-nitrobenzonitrile|CS-0580787
      52962-97-7
    • ~%
    • In-stock
      4-Amino-2,3-dimethylbenzoic acid|CS-0028787
      5628-44-4

    References

    • Bulletin de la Societe Chimique de France, , p. 1813 - 1817
  • Route3
    • null|null
      90557-85-0
    • ~%
    • In-stock
      4-Amino-2,3-dimethylbenzoic acid|CS-0028787
      5628-44-4

    References

    • Bulletin de la Societe Chimique de France, , p. 1813 - 1817

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   63.32
  • LogP   1.58384
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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