Cas no 166733-97-7 (1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-)

1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro- structure
166733-97-7 structure
Product Name:1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-
CAS No:166733-97-7
MF:C12H16O2
MW:192.254243850708
CID:1351813
PubChem ID:173843
Update Time:2025-04-20

1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-
    • (+/-)-sedanenolide
    • AKOS037515468
    • DTXSID40977545
    • B2703-407024
    • SCHEMBL4086957
    • Senkyunolide A?
    • 3-N-Butyl-4,5-dihydrophthalide
    • CHEMBL2288883
    • 3-Butyl-4,5-dihydro-2-benzofuran-1(3H)-one
    • 3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
    • 3-butyl-4,5-dihydrophthalid
    • FS-10382
    • 62006-39-7
    • 3-Butyl-4,5-dihydroisobenzofuran-1(3H)-one
    • 166733-97-7
    • ZPIKVDODKLJKIN-UHFFFAOYSA-N
    • Inchi： 1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3
    • InChI Key： ZPIKVDODKLJKIN-UHFFFAOYSA-N
    • SMILES： O1C(C2C=CCCC=2C1CCCC)=O

Computed Properties

  • Exact Mass: 192.11508
  • Monoisotopic Mass: 192.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 299
  • 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: 2.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Tetrahydrofuran ;  30 min, 150 °C
Reference
Structural Reassignment of rel-(3'Z,3R,6R,7R,3a'R,6'R)-3,8-Dihydrodiligustilide and the Activity of Diligustilide and 3,8-Dihydro- and 3,8,7',7a'-Tetrahydrodiligustilides as Progestins
Avila, Jose Luis; Almeida-Aguirre, Ericka K. P.; Mendez-Cuesta, Carlos A.; Toscano, Ruben A.; Cerbon Cervantes, Marco A.; et al, Organic Letters, 2019, 21(18), 7460-7465

1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro- Preparation Products

1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro- Related Literature

166733-97-7 (1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-) Related Products

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