7,8-dihydroxy-4-phenyl-2H-chromen-2-one

Base Information

• Chemical Name: 7,8-dihydroxy-4-phenyl-2H-chromen-2-one
• CAS No.: 842-01-3
• Molecular Formula: C15H10O4
• Molecular Weight: 254.242
• Hs Code.: 2932209090
• European Community (EC) Number: 622-066-5
• DSSTox Substance ID: DTXSID10419942
• Nikkaji Number: J2.212.251G
• Wikidata: Q27097282
• Metabolomics Workbench ID: 151198
• ChEMBL ID: CHEMBL1233867
• Mol file: 842-01-3.mol

Synonyms:4-phenyl-7,8-dihydroxycoumarin

Chemical Property of 7,8-dihydroxy-4-phenyl-2H-chromen-2-one

Chemical Property:

• Vapor Pressure: 1.99E-10mmHg at 25°C
• Melting Point: 190-195 °C(lit.)
• Refractive Index: 1.698
• Boiling Point: 495.1 °C at 760 mmHg
• Flash Point: 193.8 °C
• PSA: 70.67000
• Density: 1.443 g/cm³
• LogP: 2.87120
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.05790880
• Heavy Atom Count: 19
• Complexity: 384

Purity/Quality:

≥98% ^*data from raw suppliers

7,8-Dihydroxy-4-phenylcoumarin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3O)O

Technology Process of 7,8-dihydroxy-4-phenyl-2H-chromen-2-one

There total 10 articles about 7,8-dihydroxy-4-phenyl-2H-chromen-2-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: 94.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) + 2-hydroxyresorcinol (87-66-1) → 7,8-dihydroxy-4-phenyl-2H-chromen-2-one (842-01-3)

Guidance literature:

zirconium(IV) chloride; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2005.06.166

Reference yield: 92.0%

7,8-bis(benzyloxy)-4-phenyl-2H-chromen-2-one → 7,8-dihydroxy-4-phenyl-2H-chromen-2-one (842-01-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 50 ℃; for 2h;

DOI:10.2174/1570180812666141111235026

Reference yield: 82.0%

pyrogallol triacetate (525-52-0) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → 7,8-dihydroxy-4-phenyl-2H-chromen-2-one (842-01-3)

Guidance literature:

With perchloric acid;

DOI:10.3390/molecules23102476

upstream raw materials:

ethyl 3-oxo-3-phenylpropionate

2-hydroxyresorcinol

7,8-diacetoxy-4-phenylcoumarin

7,8-bis(benzyloxy)-2-oxo-2H-chromen-4-yl trifluoromethanesulfonate

Downstream raw materials:

7,8-Dimethoxy-4-phenyl-2H-1-benzopyran-2-one

7,8-diacetoxy-4-phenylcoumarin

8-hydroxy-4-phenyl-7-(tetrahydro-2H-pyran-2-yloxy)-2H-chromen-2-one

AD-C-001S-WZ₀₁₀₁₁