Cas no 88288-03-3 (2,4-Cyclohexadien-1-one, 4,6,6-trifluoro-3-methoxy-)

2,4-Cyclohexadien-1-one, 4,6,6-trifluoro-3-methoxy- structure
88288-03-3 structure
Product Name:2,4-Cyclohexadien-1-one, 4,6,6-trifluoro-3-methoxy-
CAS No:88288-03-3
MF:C7H5F3O2
MW:178.108612775803
CID:638680
PubChem ID:13166045
Update Time:2025-04-19

2,4-Cyclohexadien-1-one, 4,6,6-trifluoro-3-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Cyclohexadien-1-one, 4,6,6-trifluoro-3-methoxy-
    • 4,6,6-trifluoro-3-methoxycyclohexa-2,4-dien-1-one
    • 88288-03-3
    • DTXSID00524155
    • Inchi: 1S/C7H5F3O2/c1-12-5-2-6(11)7(9,10)3-4(5)8/h2-3H,1H3
    • InChI Key: RJUSUKAYNSWWRB-UHFFFAOYSA-N
    • SMILES: FC1(C(C=C(C(=C1)F)OC)=O)F

Computed Properties

  • Exact Mass: 178.02416388g/mol
  • Monoisotopic Mass: 178.02416388g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 278
  • 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: 1.3
  • Topological Polar Surface Area: 26.3?2

2,4-Cyclohexadien-1-one, 4,6,6-trifluoro-3-methoxy- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Selectfluor Solvents: 1-Butyl-3-methylimidazolium tetrafluoroborate ;  rt → 70 °C; 3 h, 70 °C
Reference
Transformations of organic molecules with F-TEDA-BF4 in ionic liquid media
Pavlinac, Jasminka; Zupan, Marko; Stavber, Stojan, Molecules, 2009, 14(7), 2394-2409

2,4-Cyclohexadien-1-one, 4,6,6-trifluoro-3-methoxy- Raw materials

2,4-Cyclohexadien-1-one, 4,6,6-trifluoro-3-methoxy- Preparation Products

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