Cas no 970-48-9 (Alfalone)

Alfalone structure
Alfalone structure
Product Name:Alfalone
CAS No:970-48-9
MF:C17H14O5
MW:298.290065288544
CID:810850
PubChem ID:12132870
Update Time:2024-10-25

Alfalone Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,6-hydroxy-7-methoxy-3-(4-methoxyphenyl)-
    • 6-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • 6-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one (ACI)
    • Isoflavone, 6-hydroxy-4′,7-dimethoxy- (7CI, 8CI)
    • 6-Hydroxy-7,4′-dimethoxyisoflavone
    • Alfalone
    • Alfalone (isoflavone)
    • 6-Hydroxy-7,4'-dimethoxyisoflavone
    • 6-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
    • 6-Hydroxy-4',7-dimethoxyisoflavone
    • 4H-1-Benzopyran-4-one, 6-hydroxy-7-methoxy-3-(4-methoxyphenyl)-
    • 7-Methoxy-3-(4-methoxyphenyl)-6-oxidanyl-chromen-4-one
    • CHEMBL3982563
    • 970-48-9
    • AKOS027380838
    • CHEBI:174838
    • 9NJ9MMB4ZA
    • 6-hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
    • 4',7-DIMETHOXY-6-HYDROXYISOFLAVONE
    • LMPK12050105
    • Isoflavone, 6-hydroxy-4',7-dimethoxy-
    • DTXSID301297861
    • STL434860
    • 6-Hydroxy-7,4a(2)-dimethoxyisoflavone
    • G83875
    • Inchi: 1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-9,18H,1-2H3
    • InChI Key: CQULNEWSZBPFNL-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=CC(=C(C=2)O)OC)OC=C1C1C=CC(OC)=CC=1

Computed Properties

  • Exact Mass: 298.08412354g/mol
  • Monoisotopic Mass: 298.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 438
  • 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: 2.8
  • Topological Polar Surface Area: 65?2

Experimental Properties

  • Density: 1.321±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 246-247 oC
  • Solubility: Almost insoluble (0.051 g/l) (25 o C),

Alfalone Pricemore >>

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Alfalone Production Method

Production Method 1

Reaction Conditions
Reference
Synthesis and antioxidant activity of isoflavones and isoflavanones
Bulut, Mustafa, Chimica Acta Turcica, 1992, 19(2), 121-8

Production Method 2

Reaction Conditions
1.1 Catalysts: 4-(Dimethylamino)pyridine ;  4 h, 100 °C
1.2 Reagents: Water
Reference
Synthesis of isoflavones via base-catalysed condensation reaction of deoxybenzoin
Li, Wanmei; Liu, Fangming; Zhang, Pengfei, Journal of Chemical Research, 2008, (12), 683-685

Production Method 3

Reaction Conditions
1.1 Catalysts: Boron trifluoride etherate Solvents: Dimethylformamide ;  cooled; 50 - 60 °C
1.2 Reagents: Methanesulfonyl chloride, compd. with N,N-dimethylformamide (1:1) ;  50 - 60 °C; 2 h, 70 °C; cooled
1.3 Solvents: Water ;  overnight, rt
Reference
Free-Radical-Scavenging, Antityrosinase, and Cellular Melanogenesis Inhibitory Activities of Synthetic Isoflavones
Lu, Tzy-Ming; Ko, Horng-Huey; Ng, Lean-Teik; Hsieh, Yen-Pin, Chemistry & Biodiversity, 2015, 12(6), 963-979

Production Method 4

Reaction Conditions
1.1 Catalysts: Boron trifluoride etherate ;  10 min, 120 °C; 120 °C → rt
1.2 10 min, 50 °C
1.3 Reagents: Methanesulfonyl chloride ;  30 min, 80 °C
Reference
Synthesis of various kinds of isoflavones, isoflavanes, and biphenyl-ketones and their 1,1-diphenyl-2-picrylhydrazyl radical-scavenging activities
Goto, Hideyuki; Terao, Yoshiyasu; Akai, Shuji, Chemical & Pharmaceutical Bulletin, 2009, 57(4), 346-360

Production Method 5

Reaction Conditions
Reference
Efficient Synthesis of Glaziovianin A Isoflavone Series from Dill and Parsley Extracts and Their in Vitro/in Vivo Antimitotic Activity
Semenov, Victor V.; Tsyganov, Dmitry V.; Semenova, Marina N.; Chuprov-Netochin, Roman N.; Raihstat, Mikhail M.; et al, Journal of Natural Products, 2016, 79(5), 1429-1438

Production Method 6

Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide ;  8 d, 28 °C
1.2 Reagents: Hydrochloric acid Solvents: Water ;  pH 2, rt
Reference
Biotransformation of isoflavones by Aspergillus niger, as biocatalyst
Miyazawa, M.; Ando, H.; Okuno, Y.; Araki, H., Journal of Molecular Catalysis B: Enzymatic, 2004, 27(2-3), 91-95

Alfalone Raw materials

Alfalone Preparation Products

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