Cas no 863309-86-8 (5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one)

5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one structure
863309-86-8 structure
Product Name:5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
CAS No:863309-86-8
MF:C10H10O3
MW:178.184603214264
MDL:MFCD09744053
CID:720394
PubChem ID:15264348
Update Time:2024-10-26

5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Chemical and Physical Properties

Names and Identifiers

    • 5-Methoxy-4-Chromanone
    • 4H-1-Benzopyran-4-one,2,3-dihydro-5-methoxy-
    • 5-methoxy-2,3-dihydrochromen-4-one
    • 5-Methoxychroman-4-one
    • AK119567
    • 5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
    • PubChem17923
    • FCH869419
    • 3503AC
    • ST2406303
    • AX8244983
    • 5-Methoxy-2,3-dihydro-4H-1-benzopyran-4-one
    • A841610
    • 2,3-Dihydro-5-methoxy-4H-1-benzopyran-4-one (ACI)
    • SCHEMBL12316566
    • MFCD09744053
    • DTXSID70570669
    • DS-5655
    • N10549
    • AKOS006332051
    • 863309-86-8
    • MDL: MFCD09744053
    • Inchi: 1S/C10H10O3/c1-12-8-3-2-4-9-10(8)7(11)5-6-13-9/h2-4H,5-6H2,1H3
    • InChI Key: NDMGXDPNMNYBFW-UHFFFAOYSA-N
    • SMILES: O=C1CCOC2C1=C(C=CC=2)OC

Computed Properties

  • Exact Mass: 178.06300
  • Monoisotopic Mass: 178.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 202
  • 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: 35.5

Experimental Properties

  • Density: 1.206
  • Boiling Point: 331.926°C at 760 mmHg
  • Flash Point: 145.651°C
  • Refractive Index: 1.547
  • PSA: 35.53000
  • LogP: 1.66040

5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Pricemore >>

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5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: tert-Butanol
2.1 Reagents: Trifluoroacetic acid ,  Trifluoromethanesulfonic acid
2.2 Solvents: Water
Reference
Synthesis of Flavanones via Palladium(II)-Catalyzed One-Pot β-Arylation of Chromanones with Arylboronic Acids
Yoo, Hyung-Seok; et al, Journal of Organic Chemistry, 2019, 84(16), 10012-10023

Production Method 2

Reaction Conditions
1.1 Reagents: Aluminum chloride ;  rt; 1 h, 150 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  10 min, rt
Reference
Simple preparation of chromanones and N-alkyltetrahydro-4-quinolones
Romanelli, Gustavo P.; et al, International Electronic Conferences on Synthetic Organic Chemistry, 2004, 888, 888-891

Production Method 3

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid ,  Trifluoromethanesulfonic acid
1.2 Solvents: Water
Reference
Synthesis of Flavanones via Palladium(II)-Catalyzed One-Pot β-Arylation of Chromanones with Arylboronic Acids
Yoo, Hyung-Seok; et al, Journal of Organic Chemistry, 2019, 84(16), 10012-10023

5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Raw materials

5-methoxy-3,4-dihydro-2H-1-benzopyran-4-one Preparation Products

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