2,6-Diphenyl-4H-pyran-4-one

Base Information

• Chemical Name: 2,6-Diphenyl-4H-pyran-4-one
• CAS No.: 1029-94-3
• Molecular Formula: C17H12O2
• Molecular Weight: 248.281
• Hs Code.: 2932999099
• European Community (EC) Number: 659-913-3
• NSC Number: 137596
• DSSTox Substance ID: DTXSID40300571
• Nikkaji Number: J102.906A
• Wikidata: Q82043727
• Mol file: 1029-94-3.mol

Synonyms:2,6-Diphenyl-4H-pyran-4-one;1029-94-3;2,6-diphenylpyran-4-one;4H-Pyran-4-one, 2,6-diphenyl-;2,6-diphenyl-4-pyrone;2,6-Diphenyl-.gamma.-pyrone;NSC137596;2,6-Diphenyl-gamma-pyrone;2,6-diphenyl-pyran-4-one;4H-Pyran-4-one,6-diphenyl-;SCHEMBL1344376;DTXSID40300571;2,6-Diphenyl-4H-pyran-4-one #;AMY37953;AKOS024255044;NSC-137596;AE-848/02065044

Chemical Property of 2,6-Diphenyl-4H-pyran-4-one

Chemical Property:

• Vapor Pressure: 4.75E-09mmHg at 25°C
• Refractive Index: 1.629
• Boiling Point: 471.201 °C at 760 mmHg
• Flash Point: 227.769 °C
• PSA: 30.21000
• Density: 1.212 g/cm³
• LogP: 3.97380
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.083729621
• Heavy Atom Count: 19
• Complexity: 358

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C=C(O2)C3=CC=CC=C3

Technology Process of 2,6-Diphenyl-4H-pyran-4-one

There total 54 articles about 2,6-Diphenyl-4H-pyran-4-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: 95.0%

1,5-diphenylpentane-1,3,5-trione (1467-40-9) → 2,6-diphenyl-pyran-4-one (1029-94-3)

Guidance literature:

With sulfuric acid;

Reference yield: 84.0%

1,5-diphenylpent-1-yne-3,5-dione (107451-76-3) → 2,6-diphenyl-pyran-4-one (1029-94-3)

Guidance literature:

With formic acid; Noyori's catalyst; triethylamine; In dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo401284c

Reference yield: 81.0%

3-oxo-3-phenylpropionic acid (614-20-0) → 2,6-diphenyl-pyran-4-one (1029-94-3)

Guidance literature:

With trifluoromethylsulfonic anhydride; In dichloromethane; at 40 ℃; for 48h; Inert atmosphere;

DOI:10.1007/s00706-016-1851-2

upstream raw materials:

2,6-Diphenyl-pyridon-4

ethanol

4,5-dibromo-1,5-diphenyl-pentane-1,3-dione

potassium acetate

Downstream raw materials:

5-(β-hydroxyimino-β-phenylethyl)-3-phenylisoxazole

5-hydroxy-5-(β-hydroxyimino-β-phenylethyl)-3-phenyl-2-isoxazoline

2,6-di-(3-nitrophenyl)-4-pyrone