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CS-W001157 4
Total: USD 88.00

3-Amino-4-methylbenzoic acid

  • CAS No. 2458-12-0

  • Cat. No. CS-W010963
  • Purity≥98%
  • MDL No.MFCD00007742

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

3-Amino-4-methylbenzoic acid|CS-W010963

Structure of 2458-12-0

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General Information

  • CAS No. 2458-12-0
  • Cat. No. CS-W010963
  • Purity ≥98%
  • MDL No. MFCD00007742
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₂
  • Molecular Weight 151.16
  • Synonym(s) 4-Methyl -3-aminobenzoic acid
  • SMILES C1=C(C(=CC=C1C(=O)O)C)N

Description

Phophotidylcholine (PC) is a glycerophospholipid. It is synthesized in by the CDP-choline pathway or Kennedy pathway. PC is present at higher concentrations in all mammalian cells and organelles.C16-22:6 PC has been used as a lipid reference standard in matrix assisted laser desorption/ionization- time-of-light (MALDI-TOF) mass spectrometry.

Application

3-Amino-4-methylbenzoic acid serves as a versatile building block for medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, benzoxazoles, and other heterocyclic scaffolds. Its ortho-amino and meta-carboxylic acid functionalities offer complementary reactivity for coupling reactions, while the methyl group provides steric and electronic modulation. Bench-stable and readily purified by recrystallization, it functions reliably in amide bond formation, cyclization protocols, and metal-catalyzed cross-couplings.

Synthesis

  • Route1

    References

    • Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 16, # 3 p. 275 - 277 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 16, # 3 p. 366 - 368
  • Route2
    • 3-Acetamido-4-methylbenzoic acid|CS-0038381
      6946-14-1
    • ~%
    • In-stock
      3-Amino-4-methylbenzoic acid|CS-W010963
      2458-12-0

    References

    • Chem. Zentralbl., , vol. 83, # I p. 136
  • Route3

    References

    • Chemische Berichte, , vol. 27, p. 2165

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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