Cas no 2169045-78-5 (2-Bromopropyl 1,2-oxazole-4-carboxylate)

2-Bromopropyl 1,2-oxazole-4-carboxylate is a versatile brominated heterocyclic ester with applications in organic synthesis and pharmaceutical intermediates. Its key structural features include a reactive bromopropyl group and a 1,2-oxazole-4-carboxylate moiety, enabling efficient functionalization and coupling reactions. This compound is particularly useful in nucleophilic substitution reactions, where the bromine serves as a leaving group, facilitating further derivatization. The 1,2-oxazole ring contributes to its stability while offering a modifiable scaffold for heterocyclic chemistry. Suitable for use in controlled environments, it is valued for its synthetic flexibility in constructing complex molecular architectures, particularly in medicinal chemistry and agrochemical research. Proper handling and storage are recommended due to its reactive nature.
2-Bromopropyl 1,2-oxazole-4-carboxylate structure
2169045-78-5 structure
Product Name:2-Bromopropyl 1,2-oxazole-4-carboxylate
CAS No:2169045-78-5
MF:C7H8BrNO3
MW:234.04732131958
CID:5748720
PubChem ID:165958715
Update Time:2025-05-27

2-Bromopropyl 1,2-oxazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2-bromopropyl 1,2-oxazole-4-carboxylate
    • 2169045-78-5
    • EN300-1572575
    • 2-Bromopropyl 1,2-oxazole-4-carboxylate
    • Inchi: 1S/C7H8BrNO3/c1-5(8)3-11-7(10)6-2-9-12-4-6/h2,4-5H,3H2,1H3
    • InChI Key: DFVXMTDLECTNBA-UHFFFAOYSA-N
    • SMILES: BrC(C)COC(C1C=NOC=1)=O

Computed Properties

  • Exact Mass: 232.96876g/mol
  • Monoisotopic Mass: 232.96876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 52.3?2

2-Bromopropyl 1,2-oxazole-4-carboxylate Pricemore >>

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