Cas no 23286-53-5 (methyl 5-amino-3-methylisoxazole-4-carboxylate)

Methyl 5-amino-3-methylisoxazole-4-carboxylate is a versatile heterocyclic compound featuring an isoxazole core with amino and ester functional groups. Its structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both amino and carboxylate groups allows for further functionalization, enabling the synthesis of more complex derivatives. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined reactivity profile makes it suitable for use in nucleophilic substitution, condensation, and cyclization reactions. The methyl ester moiety enhances solubility in common organic solvents, improving its utility in synthetic applications.
methyl 5-amino-3-methylisoxazole-4-carboxylate structure
23286-53-5 structure
Product Name:methyl 5-amino-3-methylisoxazole-4-carboxylate
CAS No:23286-53-5
MF:C6H8N2O3
MW:156.139321327209
CID:251922
PubChem ID:45099126
Update Time:2025-06-07

methyl 5-amino-3-methylisoxazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylicacid, 5-amino-3-methyl-, methyl ester
    • 4-Isoxazolecarboxylicacid,5-amino-3-methyl-,methylester(8CI)
    • methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
    • 23286-53-5
    • AKOS006237399
    • METHYL 5-AMINO-3-METHYLISOXAZOLE-4-CARBOXYLATE
    • Methyl 5-amino-3-methyl-4-isoxazolecarboxylate
    • AB55470
    • METHYL5-AMINO-3-METHYLISOXAZOLE-4-CARBOXYLATE
    • EN300-135321
    • VS-10647
    • CS-0233676
    • methyl 5-amino-3-methyl-1, 2-oxazole-4-carboxylate
    • methyl 5-amino-3-methylisoxazole-4-carboxylate
    • Inchi: 1S/C6H8N2O3/c1-3-4(6(9)10-2)5(7)11-8-3/h7H2,1-2H3
    • InChI Key: SSWHJCSREUYXIA-UHFFFAOYSA-N
    • SMILES: O1C(=C(C(=O)OC)C(C)=N1)N

Computed Properties

  • Exact Mass: 156.053
  • Monoisotopic Mass: 156.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 162
  • 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
  • Topological Polar Surface Area: 78.4A^2
  • XLogP3: 0.8

methyl 5-amino-3-methylisoxazole-4-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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