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CS-W001157 4
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Methyl 3-aminobenzoate

  • CAS No. 4518-10-9

  • Cat. No. CS-W018124
  • Purity≥97%
  • MDL No.MFCD00017102

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

Methyl 3-aminobenzoate|CS-W018124

Structure of 4518-10-9

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General Information

  • CAS No. 4518-10-9
  • Cat. No. CS-W018124
  • Purity ≥97%
  • MDL No. MFCD00017102
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₂
  • Molecular Weight 151.16
  • Synonym(s) m-Aminobenzoic acid, methyl ester
  • SMILES O=C(OC)C1=CC=CC(N)=C1

Description

Methyl 3-aminobenzoate features a para-amino group flanked by an ester moiety, delivering enhanced solubility and reactivity in synthetic transformations. This bench-stable derivative serves as a key intermediate for pharmaceuticals, agrochemicals, and fluorescent probes, enabling efficient coupling and derivatization under standard conditions.

Application

Methyl 3-aminobenzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling straightforward access to substituted benzamides and heterocyclic scaffolds. Its ortho-amino and ester functionalities offer orthogonal reactivity for selective derivatization, including acylation, diazotization, and coupling reactions. The compound exhibits excellent bench stability and facilitates purification via recrystallization or column chromatography, making it well-suited for scale-up and multi-step synthesis workflows.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Aminobenzoic acid|CS-W019987
      99-05-8
    • ~99%
    • In-stock
      Methyl 3-aminobenzoate|CS-W018124
      4518-10-9

    References

    • European Journal of Medicinal Chemistry, , vol. 76, p. 343 - 351
  • Route2

    References

    • Organic Letters, , vol. 7, # 22 p. 5087 - 5090
  • Route3

    References

    • Chemistry - A European Journal, , vol. 16, # 25 p. 7372 - 7375

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   52.32
  • LogP   1.0554
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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