Cas no 203259-52-3 (Ethyl 6-chlorobenzo[d]Isoxazole-3-carboxylate)

Ethyl 6-chlorobenzo[d]isoxazole-3-carboxylate is a versatile heterocyclic compound featuring a benzoisoxazole core substituted with a chloro group at the 6-position and an ethyl ester at the 3-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The chloro substituent enhances electrophilic substitution potential, while the ester group allows for derivatization via hydrolysis or transesterification. Its stability under standard conditions ensures ease of handling in organic reactions. The compound is particularly useful in the development of bioactive molecules, including potential antimicrobial and anti-inflammatory agents, due to its rigid aromatic framework and modifiable functional groups.
Ethyl 6-chlorobenzo[d]Isoxazole-3-carboxylate structure
203259-52-3 structure
Product Name:Ethyl 6-chlorobenzo[d]Isoxazole-3-carboxylate
CAS No:203259-52-3
MF:C10H8ClNO3
MW:225.628421783447
CID:1082989
PubChem ID:10823088
Update Time:2025-10-17

Ethyl 6-chlorobenzo[d]Isoxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 6-chlorobenzo[d]Isoxazole-3-carboxylate
    • 6-Chloro-benzo[d]isoxazole-3-carboxylic acid ethyl ester
    • Ethyl 6-chloro-1,2-benzoxazole-3-carboxylate
    • 6-Chlorobenzisoxazole-3-carboxylic acid ethyl ester
    • DB-066138
    • Ethyl6-chlorobenzo[d]isoxazole-3-carboxylate
    • 1,2-Benzisoxazole-3-carboxylic acid, 6-chloro-, ethyl ester
    • ethyl 6-chloro-1,2-benzisoxazole-3-carboxylate
    • WGDNTQKMDOWYMD-UHFFFAOYSA-N
    • 203259-52-3
    • SCHEMBL6833807
    • Inchi： 1S/C10H8ClNO3/c1-2-14-10(13)9-7-4-3-6(11)5-8(7)15-12-9/h3-5H,2H2,1H3
    • InChI Key： WGDNTQKMDOWYMD-UHFFFAOYSA-N
    • SMILES： ClC1C=CC2C(C(=O)OCC)=NOC=2C=1

Computed Properties

  • Exact Mass: 225.0192708g/mol
  • Monoisotopic Mass: 225.0192708g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 249
  • 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: 2.9
  • Topological Polar Surface Area: 52.3?2

Ethyl 6-chlorobenzo[d]Isoxazole-3-carboxylate Pricemore >>

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