Cas no 56328-87-1 (Methyl 3,5-dimethylisoxazole-4-carboxylate)

Methyl 3,5-dimethylisoxazole-4-carboxylate is a versatile heterocyclic ester with applications in pharmaceutical and agrochemical synthesis. Its isoxazole core structure provides a stable framework for further functionalization, making it a valuable intermediate in organic chemistry. The compound exhibits favorable reactivity due to the electron-withdrawing carboxylate group and the steric influence of the methyl substituents at the 3- and 5-positions. It is commonly employed in the synthesis of bioactive molecules, including potential drug candidates and crop protection agents. The ester functionality allows for straightforward derivatization, enabling efficient conversion to amides, acids, or other derivatives. Its stability under standard storage conditions and compatibility with common synthetic methodologies enhance its utility in research and industrial settings.
Methyl 3,5-dimethylisoxazole-4-carboxylate structure
56328-87-1 structure
Product Name:Methyl 3,5-dimethylisoxazole-4-carboxylate
CAS No:56328-87-1
MF:C7H9NO3
MW:155.151262044907
CID:822964
PubChem ID:11804991
Update Time:2025-06-07

Methyl 3,5-dimethylisoxazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3,5-dimethylisoxazole-4-carboxylate
    • 4-Isoxazolecarboxylic acid,3,5-dimethyl-,methylester(9CI)
    • Methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
    • 3,5-Dimethyl-4-carbomethoxy-isoxazol
    • 3,5-dimethyl-isoxazole-4-carboxylic acid methyl ester
    • 4-Methoxycarbonyl-3,5-dimethylisoxazol
    • AGN-PC-00GISU
    • AK-94093
    • ANW-53006
    • CTK8B6221
    • methyl 3,5-dimethylisoxazol-4-carboxylate
    • WT781
    • 4-Isoxazolecarboxylicacid,3,5-dimethyl-,methylester(9CI)
    • methyl3,5-dimethylisoxazole-4-carboxylate
    • 3,5-dimethyl-4-methoxycarbonylisoxazole
    • SCHEMBL14676577
    • 56328-87-1
    • WTSPFFYLZRYZOB-UHFFFAOYSA-N
    • AKOS006242908
    • CS-0326972
    • DTXSID20473030
    • DB-308401
    • G10157
    • MDL: MFCD06203795
    • Inchi: 1S/C7H9NO3/c1-4-6(7(9)10-3)5(2)11-8-4/h1-3H3
    • InChI Key: WTSPFFYLZRYZOB-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(=O)OC)C(C)=N1

Computed Properties

  • Exact Mass: 155.058243149g/mol
  • Monoisotopic Mass: 155.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 52.3?2

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