Cas no 346704-91-4 (Benzoic acid, 5-amino-2-phenoxy-, methyl ester)

Benzoic acid, 5-amino-2-phenoxy-, methyl ester is a synthetic organic compound featuring a benzoic acid core substituted with an amino group at the 5-position and a phenoxy moiety at the 2-position, esterified with methanol. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The amino group enhances its potential for further functionalization, while the ester moiety improves solubility in organic solvents, facilitating downstream reactions. Its well-defined molecular architecture ensures consistent performance in applications such as heterocyclic compound synthesis or as a precursor for bioactive molecules. The compound is typically characterized by high purity and stability under standard storage conditions.
Benzoic acid, 5-amino-2-phenoxy-, methyl ester structure
346704-91-4 structure
Product Name:Benzoic acid, 5-amino-2-phenoxy-, methyl ester
CAS No:346704-91-4
MF:C14H13NO3
MW:243.257923841476
CID:1464794
PubChem ID:23019285
Update Time:2025-06-06

Benzoic acid, 5-amino-2-phenoxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-amino-2-phenoxy-, methyl ester
    • 5-amino-2-phenoxy-benzoic acid methyl ester
    • DB-143400
    • methyl 5-amino-2-phenoxybenzoate
    • BP-11868
    • methyl 5-amino-2-phenyloxybenzoate
    • SCHEMBL3223768
    • DTXSID701245686
    • MHAZEXGQGPSXRT-UHFFFAOYSA-N
    • AKOS010559117
    • 346704-91-4
    • Inchi: 1S/C14H13NO3/c1-17-14(16)12-9-10(15)7-8-13(12)18-11-5-3-2-4-6-11/h2-9H,15H2,1H3
    • InChI Key: MHAZEXGQGPSXRT-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1C=CC(=CC=1C(=O)OC)N

Computed Properties

  • Exact Mass: 243.08959
  • Monoisotopic Mass: 243.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 276
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 61.6?2

Experimental Properties

  • PSA: 61.55

Benzoic acid, 5-amino-2-phenoxy-, methyl ester Pricemore >>

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