2H-Pyran-2-one, 4-(4-methoxyphenyl)-6-methyl-

Base Information

• Chemical Name: 2H-Pyran-2-one, 4-(4-methoxyphenyl)-6-methyl-
• CAS No.: 67075-01-8
• Molecular Formula: C13H12O3
• Molecular Weight: 216.236
• DSSTox Substance ID: DTXSID60446460
• Nikkaji Number: J1.828.857E
• Wikidata: Q82265097
• ChEMBL ID: CHEMBL117562
• Mol file: 67075-01-8.mol

Synonyms:2H-Pyran-2-one, 4-(4-methoxyphenyl)-6-methyl-;67075-01-8;CHEMBL117562;DTXSID60446460;4-(4-Methoxyphenyl)-6-methyl-2H-pyran-2-one

Chemical Property of 2H-Pyran-2-one, 4-(4-methoxyphenyl)-6-methyl-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 333

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=O)O1)C2=CC=C(C=C2)OC

Technology Process of 2H-Pyran-2-one, 4-(4-methoxyphenyl)-6-methyl-

There total 13 articles about 2H-Pyran-2-one, 4-(4-methoxyphenyl)-6-methyl- 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: 98.0%

4-methoxyphenylboronic acid (5720-07-0) + 4-bromo-6-methyl-2H-pyran-2-one (132559-91-2) → 4-(4-methoxy-phenyl)-6-methyl-pyran-2-one (67075-01-8)

Guidance literature:

With sodium carbonate; In tetrahydrofuran; for 24h; Reflux; Schlenk technique;

DOI:10.1016/j.tet.2012.12.030

Reference yield: 97.0%

6-methyl-4-tosyloxy-2(2H)-pyranone (31913-41-4) + tris(4-methoxyphenyl)indium → 4-(4-methoxy-phenyl)-6-methyl-pyran-2-one (67075-01-8)

Guidance literature:

With palladium diacetate; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.10.096

Reference yield: 90.0%

4-hydroxy-6-methyl-2-pyron (675-10-5) + 4-methoxyphenylboronic acid (5720-07-0) → 4-(4-methoxy-phenyl)-6-methyl-pyran-2-one (67075-01-8)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; p-toluenesulfonyl chloride; In tetrahydrofuran; water; at 60 ℃;

DOI:10.1016/j.tet.2011.07.048

upstream raw materials:

5-acetyl-6-hydroxy-4-(4-methoxyphenyl)-2H-pyran-2-one

hydrogenchloride

4-(4-methoxyphenyl)-2-methyl-6-oxo-2H-pyran-3-carboxylic acid

4-methoxyphenylboronic acid

Downstream raw materials:

1,2-dihydro-5-(4-methoxyphenyl)-7-methyl-1-phenyl<1,2>diazepin-3-one

4-(4-Methoxyphenyl)-6-methyl-2H-pyran-2-thione

1,2-dihydro-5-(4-methoxyphenyl)-7-methyl<1,2>diazepin-3-one

4-(4-Methoxyphenyl)-6-methyl-2H-thiopyran-2-one