Cas no 86654-26-4 (7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one)

7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one structure
86654-26-4 structure
Product Name:7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
CAS No:86654-26-4
MF:C14H14O3
MW:230.259164333344
CID:836733
PubChem ID:71307287
Update Time:2024-10-26

7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one Chemical and Physical Properties

Names and Identifiers

    • 7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
    • 7-Hydroxy-3-prenylcoumarin
    • 7-Hydroxy-3-(3-methyl-2-buten-1-yl)-2H-chromen-2-one
    • 2H-1-Benzopyran-2-one, 7-hydroxy-3-(3-methyl-2-butenyl)- (9CI)
    • 7-Hydroxy-3-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one (ACI)
    • 3-(3-Methylbut-2-enyl)umbelliferone
    • 7-Hydroxy-3-(3-methyl-2-butenyl)coumarin
    • [ "" ]
    • 2H-1-Benzopyran-2-one, 7-hydroxy-3-(3-methyl-2-butenyl)-
    • 86654-26-4
    • 7-Hydroxy-3-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one; 3-(3-Methylbut-2-enyl)umbelliferone
    • AKOS022184637
    • FS-9113
    • Prenylumbelliferon
    • 7-Hydroxy-3-(3-methylbut-2-enyl)chromen-2-one
    • 7-HYDROXY-3-(3-METHYLBUT-2-EN-1-YL)CHROMEN-2-ONE
    • Inchi： 1S/C14H14O3/c1-9(2)3-4-11-7-10-5-6-12(15)8-13(10)17-14(11)16/h3,5-8,15H,4H2,1-2H3
    • InChI Key： BOTVZVKUYCAWMF-UHFFFAOYSA-N
    • SMILES： O=C1C(C/C=C(\C)/C)=CC2C(=CC(=CC=2)O)O1

Computed Properties

  • Exact Mass: 230.094294304g/mol
  • Monoisotopic Mass: 230.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 364
  • 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: 3.5
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Color/Form: Solid
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 412.1±45.0 °C at 760 mmHg
  • Flash Point: 178.6±21.5 °C
  • PSA: 50.44000
  • LogP: 3.00730
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one Security Information

7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one Pricemore >>

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Chemenu
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TargetMol Chemicals
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TargetMol Chemicals
TN3230-1 mL * 10 mM (in DMSO)
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7-Hydroxy-3-(3-methylbut-2-en-1-yl)-2H-chromen-2-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Dimethyl sulfate ,  Boron trifluoride etherate ,  Potassium carbonate Solvents: Acetone ,  1,4-Dioxane ;  4 h, 85 °C; 85 °C → rt; 4 h, reflux
Reference
Short synthesis of 3-prenylcoumarins by an unusual prenylation
Ramachandra, Marellapudi S.; et al, Synthetic Communications, 2006, 36(24), 3723-3727

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