Cas no 10493-09-1 ((+/-)-3',4',7-tri-o-methylbutin)

(+/-)-3',4',7-tri-o-methylbutin structure
10493-09-1 structure
Product Name:(+/-)-3',4',7-tri-o-methylbutin
CAS No:10493-09-1
MF:C18H18O5
MW:314.332525730133
CID:2044776
PubChem ID:9818297
Update Time:2025-04-21

(+/-)-3',4',7-tri-o-methylbutin Chemical and Physical Properties

Names and Identifiers

    • (+/-)-3',4',7-tri-o-methylbutin
    • (+/-)-3',4',7-trimethoxyflavanone
    • (-)-7,3',4'-tri-O-methylbutin
    • 2-(3,4-Dimethoxy-phenyl)-7-methoxy-chroman-4-on
    • 2-(3,4-dimethoxy-phenyl)-7-methoxy-chroman-4-one
    • 3',4',7-trimethoxyflavanone
    • 7,3',4'-trimethoxy-flavanone
    • 7,3',4'-trimethoxyflavanone
    • 10493-09-1
    • AE-641/08490034
    • 2-(3,4-dimethoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
    • 2-(3,4-dimethoxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one
    • Inchi: 1S/C18H18O5/c1-20-12-5-6-13-14(19)10-16(23-17(13)9-12)11-4-7-15(21-2)18(8-11)22-3/h4-9,16H,10H2,1-3H3
    • InChI Key: JLAAOYUKINRANY-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C=CC=2C(CC1C1C=CC(=C(C=1)OC)OC)=O)OC

Computed Properties

  • Exact Mass: 314.11542367Da
  • Monoisotopic Mass: 314.11542367Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 412
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 54?2

(+/-)-3',4',7-tri-o-methylbutin Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium ethanethiolate Solvents: Dimethylformamide ;  4 h, reflux
1.2 Reagents: Hydrochloric acid ,  Sodium chloride Solvents: Water
Reference
The Heck coupling reaction using aryl vinyl ketones: Synthesis of flavonoids
Bianco, Armandodoriano; Cavarischia, Claudia; Guiso, Marcella, European Journal of Organic Chemistry, 2004, (13), 2894-2898

(+/-)-3',4',7-tri-o-methylbutin Raw materials

(+/-)-3',4',7-tri-o-methylbutin Preparation Products

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