5-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one

Base Information

• Chemical Name: 5-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one
• CAS No.: 64687-96-3
• Molecular Formula: C15H12O4
• Molecular Weight: 256.258
• DSSTox Substance ID: DTXSID10494411
• Nikkaji Number: J795.429H

Synonyms:5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one;64687-96-3;5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one;5,4'-dihydroxyflavanone;SCHEMBL16125578;DTXSID10494411;LOXUJSDOXFACIX-UHFFFAOYSA-N;5-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

Chemical Property of 5-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC(=C2C1=O)O)C3=CC=C(C=C3)O

Technology Process of 5-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one

There total 13 articles about 5-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one 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: 92.0%

2',6',4-trihydroxychalcone (105285-08-3) → 5-hydroxy-2-(4-hydroxphenyl)chroman-4-one (64687-96-3)

Guidance literature:

With sodium acetate; In ethanol; for 1h; Heating;

DOI:10.1016/j.tet.2007.03.173

Reference yield: 78.0%

2,6-dihydroxylacetophenone (699-83-2) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 5-hydroxy-2-(4-hydroxphenyl)chroman-4-one (64687-96-3)

Guidance literature:

With piperidine; boric acid; silica gel; In diethylene glycol dimethyl ether; at 120 ℃; for 12h;

DOI:10.3987/com-96-7611

Reference yield: 33.0%

4,2',6'-tris(methoxymethoxy)chalcone (101946-89-8) → 5-hydroxy-2-(4-hydroxphenyl)chroman-4-one (64687-96-3) + 2',6',4-trihydroxychalcone (105285-08-3)

Guidance literature:

With hydrogenchloride; for 3h; Ambient temperature;

upstream raw materials:

isoliquirtigenin

2',6',4-trihydroxychalcone

4,2',6'-tris(methoxymethoxy)chalcone

2,6-dihydroxylacetophenone

Downstream raw materials:

4',5-diacetoxyflavan-4-one

5,4'-diacetoxyflavanone

5,4'-dihydroxyflavone

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