Cas no 57764-44-0 (1,2-Benzisoxazole-3-carboxylicacid,4-amino-,methylester(9CI))

1,2-Benzisoxazole-3-carboxylic acid, 4-amino-, methyl ester (9CI) is a heterocyclic organic compound featuring a benzisoxazole core functionalized with an amino group at the 4-position and a methyl ester at the 3-carboxylic acid position. This structure imparts reactivity suitable for pharmaceutical and agrochemical intermediates, particularly in the synthesis of biologically active molecules. The amino and ester groups offer versatile sites for further derivatization, enabling applications in medicinal chemistry and material science. Its well-defined chemical properties and stability under controlled conditions make it a valuable building block for research and industrial processes requiring precise molecular modifications.
1,2-Benzisoxazole-3-carboxylicacid,4-amino-,methylester(9CI) structure
57764-44-0 structure
Product Name:1,2-Benzisoxazole-3-carboxylicacid,4-amino-,methylester(9CI)
CAS No:57764-44-0
MF:C9H8N2O3
MW:192.1714220047
CID:947509
PubChem ID:84772243
Update Time:2025-10-12

1,2-Benzisoxazole-3-carboxylicacid,4-amino-,methylester(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazole-3-carboxylicacid,4-amino-,methylester(9CI)
    • 57764-44-0
    • Methyl 4-aminobenzo[d]isoxazole-3-carboxylate
    • Methyl 4-amino-1,2-benzisoxazole-3-carboxylate
    • DTXSID201246415
    • methyl 4-amino-1,2-benzoxazole-3-carboxylate
    • A914929
    • Methyl4-aminobenzo[d]isoxazole-3-carboxylate
    • Inchi： 1S/C9H8N2O3/c1-13-9(12)8-7-5(10)3-2-4-6(7)14-11-8/h2-4H,10H2,1H3
    • InChI Key： FBFYWEIZRLJYHQ-UHFFFAOYSA-N
    • SMILES： O1C2C=CC=C(C=2C(C(=O)OC)=N1)N

Computed Properties

  • Exact Mass: 192.05349212g/mol
  • Monoisotopic Mass: 192.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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: 1.2
  • Topological Polar Surface Area: 78.4?2

1,2-Benzisoxazole-3-carboxylicacid,4-amino-,methylester(9CI) Security Information

  • Storage Condition：(BD539735)

1,2-Benzisoxazole-3-carboxylicacid,4-amino-,methylester(9CI) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM522348-1g
Methyl 4-aminobenzo[d]isoxazole-3-carboxylate
 57764-44-0 97%
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 $*** 2023-05-30
Ambeed
A715480-1g
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