Cas no 57764-45-1 (methyl 4-hydroxy-1,2-benzoxazole-3-carboxylate)

Methyl 4-hydroxy-1,2-benzoxazole-3-carboxylate is a heterocyclic compound featuring a benzoxazole core with a hydroxy group at the 4-position and a methoxycarbonyl substituent at the 3-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The compound's stability and well-defined reactivity profile enhance its utility in constructing complex molecular frameworks. Its crystalline form ensures consistent purity, while the presence of both hydroxy and ester functionalities allows for versatile derivatization. This product is particularly advantageous for researchers seeking a reliable building block for heterocyclic chemistry and medicinal chemistry studies.
methyl 4-hydroxy-1,2-benzoxazole-3-carboxylate structure
57764-45-1 structure
Product Name:methyl 4-hydroxy-1,2-benzoxazole-3-carboxylate
CAS No:57764-45-1
MF:C9H7NO4
MW:193.156182527542
CID:2843608
PubChem ID:136250406
Update Time:2025-06-30

methyl 4-hydroxy-1,2-benzoxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-hydroxy-1,2-benzoxazole-3-carboxylate
    • Methyl 4-hydroxybenzo[d]isoxazole-3-carboxylate
    • CS-0453802
    • Methyl4-hydroxybenzo[d]isoxazole-3-carboxylate
    • 57764-45-1
    • Inchi: 1S/C9H7NO4/c1-13-9(12)8-7-5(11)3-2-4-6(7)14-10-8/h2-4,11H,1H3
    • InChI Key: QGIZWCXCYVBNGU-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=C(C=2C(C(=O)OC)=N1)O

Computed Properties

  • Exact Mass: 193.03750770Da
  • Monoisotopic Mass: 193.03750770Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 233
  • 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: 1.5
  • Topological Polar Surface Area: 72.6?2

methyl 4-hydroxy-1,2-benzoxazole-3-carboxylate Pricemore >>

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