Cas no 19396-77-1 (4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl-)

4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl- structure
19396-77-1 structure
Product Name:4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl-
CAS No:19396-77-1
MF:C11H12O4
MW:208.210583686829
CID:1386667
PubChem ID:538295
Update Time:2025-04-20

4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl-
    • 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one
    • 3,5-diacetyl-2,6-dimethylpyran-4-one
    • 3,5-Diacetyl-2,6-dimethyl-I(3)-piron
    • DB-128141
    • 19396-77-1
    • XFJIXARLDYKCPG-UHFFFAOYSA-N
    • DTXSID40337064
    • 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one #
    • Inchi： 1S/C11H12O4/c1-5(12)9-7(3)15-8(4)10(6(2)13)11(9)14/h1-4H3
    • InChI Key： XFJIXARLDYKCPG-UHFFFAOYSA-N
    • SMILES： O1C(C)=C(C(C)=O)C(C(C(C)=O)=C1C)=O

Computed Properties

  • Exact Mass: 208.07356
  • Monoisotopic Mass: 208.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 386
  • 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: 0.7
  • Topological Polar Surface Area: 60.4?2

Experimental Properties

  • PSA: 60.44

4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Bis(2-chloroethyl) ether ;  3 min, 0 °C; 0 °C → 20 °C; 24 h, 20 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  cooled
Reference
Unusual aluminum chloride-assisted conversion of isopropenyl acetate into 3-acetyl- and 3,5-diacetyl-2,6-dimethyl-4H-pyran-4-ones
Novikov, V. L.; et al, Russian Chemical Bulletin, 2010, 59(8), 1600-1604

4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl- Raw materials

4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl- Preparation Products

4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl- Related Literature

19396-77-1 (4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl-) Related Products

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