Cas no 67765-59-7 ((6S,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one)

(6S,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one is a chiral lactone derivative with a fused benzofuran scaffold, exhibiting stereochemical specificity at the 6S and 7aR positions. Its structural features, including the hydroxyl group at C-6 and the unsaturated lactone moiety, make it a valuable intermediate in organic synthesis and pharmaceutical research. The compound's rigid bicyclic framework and functional groups enable selective modifications, facilitating applications in asymmetric catalysis and bioactive molecule development. Its high purity and defined stereochemistry ensure reproducibility in synthetic routes, particularly for complex heterocyclic systems. The product is suitable for studies in medicinal chemistry, where its scaffold may serve as a precursor for biologically active compounds targeting enzyme inhibition or receptor modulation.
(6S,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one structure
67765-59-7 structure
Product Name:(6S,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one
CAS No:67765-59-7
MF:C8H8O3
MW:152.147322654724
CID:1726785
PubChem ID:155054
Update Time:2025-06-09

(6S,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one Chemical and Physical Properties

Names and Identifiers

    • (6S,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one
    • (+/-)-Menisdaurilide
    • (6S,7aR)-6-hydroxy-7,7a-dihydro-6H-1-benzofuran-2-one
    • 67765-59-7
    • DTXSID30218030
    • Menisdaurilide
    • AKOS040763330
    • CHEMBL454480
    • Q27155307
    • C17900
    • CHEBI:81370
    • 2(6H)-Benzofuranone, 7,7a-dihydro-6-hydroxy-, (6S,7aR)-
    • Inchi： 1S/C8H8O3/c9-6-2-1-5-3-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2/t6-,7-/m1/s1
    • InChI Key： RAXNUTINVDSFEU-RNFRBKRXSA-N
    • SMILES： O1C(C=C2C=C[C@H](C[C@@H]12)O)=O

Computed Properties

  • Exact Mass: 152.04734
  • Monoisotopic Mass: 152.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 252
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

(6S,7aR)-6-hydroxy-7,7a-dihydro-1-benzofuran-2(6H)-one Pricemore >>

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TargetMol Chemicals
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1 ml * 10 mm
 ￥ 3330 2024-07-19

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