7-Hydroxy-4-methyl-3-phenylcoumarin

Base Information

• Chemical Name: 7-Hydroxy-4-methyl-3-phenylcoumarin
• CAS No.: 2555-23-9
• Molecular Formula: C16H12 O3
• Molecular Weight: 252.269
• European Community (EC) Number: 622-648-9
• NSC Number: 63281
• DSSTox Substance ID: DTXSID90948447
• Wikidata: Q82926280
• Metabolomics Workbench ID: 74324
• ChEMBL ID: CHEMBL1504784
• Mol file: 2555-23-9.mol

Synonyms:7-Hydroxy-4-methyl-3-phenylcoumarin;7-hydroxy-4-methyl-3-phenyl-2H-chromen-2-one;2555-23-9;7-hydroxy-4-methyl-3-phenylchromen-2-one;7-hydroxy-4-methyl-3-phenyl-chromen-2-one;7-HYDROXY-4-METHYL-3-PHENYLCOUMARIN 97;NSC63281;Oprea1_805406;MLS001167017;SCHEMBL1608015;CHEMBL1504784;DTXSID90948447;HMS2952H12;CAA55523;NSC-63281;STK924740;AKOS000270907;SMR000641315;7-Hydroxy-4-methyl-3-phenylcoumarin, 97%;CS-0247320;FT-0655077;EN300-36439;A814205;SR-01000017904;J-012980;SR-01000017904-1;7-Hydroxy-4-methyl-3-phenyl-2H-1-benzopyran-2-one;2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-3-phenyl-;F1862-0579;Z276557792

Chemical Property of 7-Hydroxy-4-methyl-3-phenylcoumarin

Chemical Property:

• Vapor Pressure: 1.55E-09mmHg at 25°C
• Boiling Point: 472.1°Cat760mmHg
• Flash Point: 206.7°C
• Density: 1.289g/cm³
• 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: 393

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=CC=C3

Technology Process of 7-Hydroxy-4-methyl-3-phenylcoumarin

There total 16 articles about 7-Hydroxy-4-methyl-3-phenylcoumarin 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: 87.0%

4-methyl-3-phenyl-7-phenylacetoxy coumarin (112030-33-8) → 7-hydroxy-4-methyl-3-phenyl-chromen-2-one (2555-23-9)

Guidance literature:

With methanol; potassium hydroxide;

Reference yield: 80.0%

ethyl 2-phenyl-2,3-butadienoate (63577-89-9) + recorcinol (108-46-3) → 7-hydroxy-4-methyl-3-phenyl-chromen-2-one (2555-23-9)

Guidance literature:

With trifluorormethanesulfonic acid; In 1,2-dichloro-ethane; at 100 ℃; for 3h;

DOI:10.1021/jo301086k

Reference yield: 78.0%

ethyl 2-phenylacetoacetate (5413-05-8) + recorcinol (108-46-3) → 7-hydroxy-4-methyl-3-phenyl-chromen-2-one (2555-23-9)

Guidance literature:

With sulfuric acid; at 0 - 20 ℃;

DOI:10.12659/MSM.898265

upstream raw materials:

7-hydroxy-4-methyl-chromen-2-one

benzene diazonium chloride

7-acetoxy-4-methyl-3-phenyl-2H-1-benzopyran-2-one

ethyl 2-phenylacetoacetate

Downstream raw materials:

7-methoxy-4-methyl-3-phenylcoumarin

8-bromo-7-hydroxy-4-methyl-3-phenyl-coumarin

6-bromo-7-hydroxy-4-methyl-3-phenyl-coumarin

6,8-dibromo-7-hydroxy-4-methyl-3-phenyl-coumarin