Cas no 139726-29-7 (Dunnianol)

Dunnianol structure
Dunnianol structure
Product Name:Dunnianol
CAS No:139726-29-7
MF:C27H26O3
MW:398.493547916412
CID:837556
PubChem ID:15714605
Update Time:2025-04-19

Dunnianol Chemical and Physical Properties

Names and Identifiers

    • Dunnianol
    • 5,5',5''-Triallyl-1,1':3',1''-terphenyl-2,2',2''-triol
    • 5,5\',5\'\'-Triallyl-1,1\':3\',1\'\'-terphenyl-2,2\',2\'\'-triol
    • [ "" ]
    • 139726-29-7
    • CS-0024217
    • B0005-189704
    • AKOS032948727
    • FS-10333
    • HY-N3789
    • 2,6-bis(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
    • A885954
    • Dunnial
    • DA-52740
    • Inchi： 1S/C27H26O3/c1-4-7-18-10-12-25(28)21(14-18)23-16-20(9-6-3)17-24(27(23)30)22-15-19(8-5-2)11-13-26(22)29/h4-6,10-17,28-30H,1-3,7-9H2
    • InChI Key： PLBCEMUNKQWXGZ-UHFFFAOYSA-N
    • SMILES： OC1C(=CC(CC=C)=CC=1C1C(=CC=C(CC=C)C=1)O)C1C(=CC=C(CC=C)C=1)O

Computed Properties

  • Exact Mass: 398.18800
  • Monoisotopic Mass: 398.18819469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 8
  • Complexity: 529
  • 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: 7.3
  • Topological Polar Surface Area: 60.7?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 525.4±45.0 °C at 760 mmHg
  • Flash Point: 227.3±23.3 °C
  • PSA: 60.69000
  • LogP: 6.32290
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

Dunnianol Security Information

Dunnianol Pricemore >>

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Dunnianol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: Peroxidase Solvents: Methanol ,  Water ;  pH 6, rt; 15 min, pH 6, rt
1.2 Reagents: Sodium bisulfite ;  rt
1.3 Reagents: Hydrogen ion Solvents: Water ;  acidified, rt
Reference
Peroxidase-catalyzed synthesis of neolignan and its anti-inflammatory activity
Tzeng, Shin-Cheng; et al, Journal of Molecular Catalysis B: Enzymatic, 2004, 32(1-2), 7-13

Production Method 2

Reaction Conditions
1.1 Reagents: (T-4)-Tribromo[1,1′-thiobis[methane]]boron Solvents: 1,2-Dichloroethane ;  1 h, reflux
1.2 Reagents: Water
2.1 Reagents: Hydrogen peroxide Catalysts: Peroxidase Solvents: Methanol ,  Water ;  pH 6, rt; 15 min, pH 6, rt
2.2 Reagents: Sodium bisulfite ;  rt
2.3 Reagents: Hydrogen ion Solvents: Water ;  acidified, rt
Reference
Peroxidase-catalyzed synthesis of neolignan and its anti-inflammatory activity
Tzeng, Shin-Cheng; et al, Journal of Molecular Catalysis B: Enzymatic, 2004, 32(1-2), 7-13

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium carbonate ,  Potassium ferricyanide Solvents: Water
Reference
Biomimetic Synthesis of Illicium Oligomeric Neolignans
Sy, Lai-King; et al, Journal of Chemical Research, 1998, (8), 476-477

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