Cas no 1273599-83-9 (Ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate)

Ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its indene core structure and functionalized ester group. Its keto-ester moiety enables diverse reactivity, making it useful in the construction of complex heterocycles and pharmaceutical scaffolds. The compound exhibits good stability under standard conditions, facilitating handling and storage. Its synthetic utility is further enhanced by the potential for further derivatization at the carbonyl and carboxylate positions, allowing for tailored modifications in medicinal chemistry and materials science applications. The product is typically characterized by high purity, ensuring reproducibility in research and industrial processes.
Ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate structure
1273599-83-9 structure
Product Name:Ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate
CAS No:1273599-83-9
MF:C12H12O3
MW:204.221883773804
CID:1036466
PubChem ID:68028200
Update Time:2025-09-24

Ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate
    • ethyl 3-oxo-1,2-dihydroindene-4-carboxylate
    • ETHYL-3-OXOINDANE-4-CARBOXYLATE
    • 1H-Indene-4-carboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
    • Ethyl3-oxo-2,3-dihydro-1H-indene-4-carboxylate
    • 1273599-83-9
    • AT37779
    • SCHEMBL10077585
    • DB-342970
    • DTXSID10737911
    • Inchi: 1S/C12H12O3/c1-2-15-12(14)9-5-3-4-8-6-7-10(13)11(8)9/h3-5H,2,6-7H2,1H3
    • InChI Key: XKYIHVGVMXLBHN-UHFFFAOYSA-N
    • SMILES: O=C1CCC2C=CC=C(C(=O)OCC)C=21

Computed Properties

  • Exact Mass: 204.078644241g/mol
  • Monoisotopic Mass: 204.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 272
  • 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: 1.9
  • Topological Polar Surface Area: 43.4?2

Ethyl 3-oxo-2,3-dihydro-1H-indene-4-carboxylate Pricemore >>

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