7-hydroxy-8-methyl-4-phenyl-2H-chromen-2-one

Base Information

• Chemical Name: 7-hydroxy-8-methyl-4-phenyl-2H-chromen-2-one
• CAS No.: 21392-48-3
• Molecular Formula: C16H12 O3
• Molecular Weight: 252.269
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID20416624
• Nikkaji Number: J2.212.253C
• Wikidata: Q82226016
• Pharos Ligand ID: XQBHLVPQFJ8M
• ChEMBL ID: CHEMBL1372308
• Mol file: 21392-48-3.mol

Synonyms:7-hydroxy-8-methyl-4-phenyl-2H-chromen-2-one;21392-48-3;7-hydroxy-8-methyl-4-phenylchromen-2-one;MLS001197424;MFCD01472303;SMR000555337;ChemDiv2_000641;Oprea1_470747;IFLab1_001736;CHEMBL1372308;SCHEMBL18073979;BDBM54446;cid_5336569;DTXSID20416624;HMS1370N03;HMS1416O20;HMS2882F11;4-Phenyl-7-hydroxy-8-methylcoumarin;7-hydroxy-8-methyl-4-phenylcoumarin;STK829222;7-hydroxy-8-methyl-4-phenyl-coumarin;AKOS000272696;UPCMLD0ENAT5499741:001;NS-03768;8-methyl-7-oxidanyl-4-phenyl-chromen-2-one;CS-0215354;FT-0683996;EN300-23704;MLS-0320159.0001;7-hydroxy-8-methyl-4-phenyl-1-benzopyran-2-one;AB00095656-01;SR-01000442889;SR-01000442889-1;Z57108716;METHYL3-AMINO-4-[(4-CHLOROPHENYL)SULFONYL]THIOPHENE-2-CARBOXYLATE

Chemical Property of 7-hydroxy-8-methyl-4-phenyl-2H-chromen-2-one

Chemical Property:

• Vapor Pressure: 5.25E-09mmHg at 25°C
• Refractive Index: 1.651
• Boiling Point: 457.9°Cat760mmHg
• Flash Point: 199.7°C
• PSA: 50.44000
• Density: 1.3g/cm³
• LogP: 3.47400
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

98%Min ^*data from raw suppliers

7-Hydroxy-8-methyl-4-phenyl-2H-chromen-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

Technology Process of 7-hydroxy-8-methyl-4-phenyl-2H-chromen-2-one

There total 6 articles about 7-hydroxy-8-methyl-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: 97.0%

2-methylbenzene-1,3-diol (608-25-3) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → 7-hydroxy-8-methyl-4-phenyl-chromen-2-one (21392-48-3)

Guidance literature:

With sulfuric acid; silica gel; at 80 ℃; for 0.5h;

DOI:10.3987/COM-06-10956

Reference yield: 89.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) + 2-hydroxyresorcinol (87-66-1) → 7-hydroxy-8-methyl-4-phenyl-chromen-2-one (21392-48-3)

Guidance literature:

With Selectfluor; at 120 ℃; for 0.75h;

DOI:10.1002/jhet.5570430233

Reference yield:

benzoic acid ethyl ester (93-89-0,99341-95-4) → 7-hydroxy-8-methyl-4-phenyl-chromen-2-one (21392-48-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethanolate / 10 h / Reflux

2: sulfuric acid / ethanol / 20 °C / Cooling with ice

With sulfuric acid; sodium ethanolate; In ethanol;

upstream raw materials:

2-methylbenzene-1,3-diol

ethyl 3-oxo-3-phenylpropionate

2-hydroxyresorcinol

benzoic acid

Downstream raw materials:

8-methyl-7-(1-methyl-2-oxo-2-phenylethoxy)-4-phenylcoumarin