5-Methoxy-4-phenyl-2H-1-benzopyran-2-one

Base Information

• Chemical Name: 5-Methoxy-4-phenyl-2H-1-benzopyran-2-one
• CAS No.: 36914-76-8
• Molecular Formula: C₁₆H₁₂O₃
• Molecular Weight: 252.269
• DSSTox Substance ID: DTXSID401276414
• Nikkaji Number: J345.880F

Synonyms:5-Methoxy-4-phenyl-2H-1-benzopyran-2-one;5-methoxy-4-phenylcoumarin;DTXSID401276414;36914-76-8

Chemical Property of 5-Methoxy-4-phenyl-2H-1-benzopyran-2-one

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC2=C1C(=CC(=O)O2)C3=CC=CC=C3

Technology Process of 5-Methoxy-4-phenyl-2H-1-benzopyran-2-one

There total 10 articles about 5-Methoxy-4-phenyl-2H-1-benzopyran-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: 79.0%

4-Chloro-5-methoxy-chromen-2-one (185417-96-3) + phenylboronic acid (98-80-6) → 5-Methoxy-4-phenyl-2H-1-benzopyran-2-one (36914-76-8)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; benzene; for 20h; Heating;

DOI:10.1039/p19960002591

Reference yield: 77.0%

5-methoxy-4-trifluoromethylsulfonyloxychromen-2-one (185418-15-9) + phenylboronic acid (98-80-6) → 5-Methoxy-4-phenyl-2H-1-benzopyran-2-one (36914-76-8)

Guidance literature:

With sodium carbonate; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; benzene; for 20h; Heating;

DOI:10.1039/p19960002591

Reference yield: 5.0%

O-methylresorcine (150-19-6) + phenylpropyolic acid (637-44-5) → 5-Methoxy-4-phenyl-2H-1-benzopyran-2-one (36914-76-8) + 5-methoxyflavone (42079-78-7) + 1-(2-Hydroxy-4-methoxyphenyl)-3-phenylpropyn-1-one (98153-26-5)

Guidance literature:

With phosphorus pentaoxide; methanesulfonic acid; for 20h; Ambient temperature;

DOI:10.1021/jo00301a027

upstream raw materials:

5-hydroxy-4-phenyl-coumarin

dimethyl sulfate

O-methylresorcine

phenylpropyolic acid

Downstream raw materials:

6-hydroxy-5-methoxy-4-phenyl-coumarin

6-acetoxy-5-methoxy-4-phenyl-coumarin

5,6-dimethoxy-4-phenyl-coumarin

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