7,8,4'-Trihydroxyisoflavone

Base Information

• Chemical Name: 7,8,4'-Trihydroxyisoflavone
• CAS No.: 75187-63-2
• Molecular Formula: C15H10 O5
• Molecular Weight: 270.241
• Hs Code.: 2914501900
• European Community (EC) Number: 675-194-9
• NSC Number: 678112
• UNII: 7KW44TB2DE
• DSSTox Substance ID: DTXSID20226169
• Nikkaji Number: J450.378C
• Wikidata: Q72466688
• Metabolomics Workbench ID: 22275
• ChEMBL ID: CHEMBL242739
• Mol file: 75187-63-2.mol

Synonyms:4',7,8-trihydroxyisoflavone

Chemical Property of 7,8,4'-Trihydroxyisoflavone

Chemical Property:

• Vapor Pressure: 4.58E-13mmHg at 25°C
• Boiling Point: 558.2 °C at 760 mmHg
• Flash Point: 218.1 °C
• PSA: 90.90000
• Density: 1.548 g/cm³
• LogP: 2.57680
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble10mg/mL, clear
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 270.05282342
• Heavy Atom Count: 20
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O

Technology Process of 7,8,4'-Trihydroxyisoflavone

There total 17 articles about 7,8,4'-Trihydroxyisoflavone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

4′,7,8-trimethoxyisoflavone (37816-21-0) → 8-hydroxydaidzein (75187-63-2)

Guidance literature:

With aluminum (III) chloride; dimethylsulfide; In dichloromethane; at 5 - 20 ℃; for 6h;

Reference yield: 93.0%

7‐hydroxy‐8,4′‐dimethoxyisoflavone (37816-20-9) → 8-hydroxydaidzein (75187-63-2)

Guidance literature:

With aluminum (III) chloride; dimethylsulfide; In dichloromethane; at 5 - 20 ℃; for 4h;

Reference yield: 83.0%

2-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)ethanone (77316-95-1) → 8-hydroxydaidzein (75187-63-2)

Guidance literature:

With methanesulfonyl chloride; In N,N-dimethyl-formamide; at 60 - 70 ℃; for 1h;

upstream raw materials:

2-(4-hydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)ethanone

N,N-dimethyl-formamide

4-hydroxyphenylacetate

2-hydroxyresorcinol

Downstream raw materials:

4',8-diallyloxy-7-hydroxyisoflavone

7,8-dihexanoyloxy-4'-hydroxyisoflavone

4',7,8-trihexanoyloxyisoflavone

4',7,8-trihydroxy-2-isoflavene

Refernces

• 1、 Tang, Buyun,Frasinyuk, Mykhaylo S.,Chikwana, Vimbai M.,Mahalingan, Krishna K.,Morgan, Cynthia A.,Segvich, Dyann M.,Bondarenko, Svitlana P.,Mrug, Galyna P.,Wyrebek, Przemyslaw,Watt, David S.,Depaoli-Roach, Anna A.,Roach, Peter J.,Hurley, Thomas D.. "Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase". . p. 3538 - 3551. Retrieved 2020/04/30.
• 2、 -. "Synthetic method of polyhydroxy isoflavone". . . Retrieved 2020/09/09.