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CS-W001157 4
Total: USD 88.00

2-Amino-3-methylbenzoic acid

  • CAS No. 4389-45-1

  • Cat. No. CS-W013297
  • Purity≥98%
  • MDL No.MFCD00007745

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

2-Amino-3-methylbenzoic acid|CS-W013297

Structure of 4389-45-1

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General Information

  • CAS No. 4389-45-1
  • Cat. No. CS-W013297
  • Purity ≥98%
  • MDL No. MFCD00007745
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₂
  • Molecular Weight 151.17
  • Synonym(s) None
  • SMILES C1=C(C(=C(C=C1)C)N)C(O)=O

Description

A cyclooxygenase, lipoxygenase and cytochrome P450 inhibitor

Application

2-Amino-3-methylbenzoic acid serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient access to substituted benzimidazoles, quinoline derivatives, and other bioactive scaffolds. Its ortho-amino and carboxylic acid functionalities offer complementary reactivity for coupling, cyclization, and derivatization under standard conditions. The methyl group provides a site for further functionalization, while the compound exhibits good bench stability and facilitates straightforward purification via crystallization or acid-base extraction.

Synthesis

  • Route1
    • null|null
      5437-38-7
    • ~99%
    • In-stock
      2-Amino-3-methylbenzoic acid|CS-W013297
      4389-45-1

    References

    • Montoya-Pelaez, Pedro J.; Uh, Yoon-Seo; Lata, Christopher; Thompson, Matthew P.; Lemieux, Robert P.; Crudden, Cathleen M. Journal of Organic Chemistry, 2006 , vol. 71, # 16 p. 5921 - 5929
  • Route2

    References

    • Lamara; Redhouse; Smalley; Thompson Tetrahedron, 1994 , vol. 50, # 18 p. 5515 - 5525
  • Route3

    References

    • Kanoh, Shigeyoshi; Muramoto, Hiroki; Kobayashi, Natsumi; Motoi, Masatoshi; Suda, Hiroshi Bulletin of the Chemical Society of Japan, 1987 , vol. 60, # 10 p. 3659 - 3662

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   1.27542
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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