2,6-Diphenyl-2-methyl-4H-1,3-dioxin-4-one

Base Information

• Chemical Name: 2,6-Diphenyl-2-methyl-4H-1,3-dioxin-4-one
• CAS No.: 72786-85-7
• Molecular Formula: C17H14O3
• Molecular Weight: 266.296
• DSSTox Substance ID: DTXSID40993588
• Nikkaji Number: J3.441.581A
• Mol file: 72786-85-7.mol

Synonyms:2-Methyl-2,6-diphenyl-1,3-dioxene-4-one;2,6-Diphenyl-2-methyl-4H-1,3-dioxin-4-one;4H-1,3-Dioxin-4-one, 2,6-diphenyl-2-methyl-;72786-85-7;DTXSID40993588;AKOS024350376;LS-62478;2-methyl-2,6-diphenyl-1,3-dioxen-4-one;2-Methyl-2,6-diphenyl-4H-1,3-dioxin-4-one;2-Methyl-2,6-diphenyl-2H,4H-1,3-dioxin-4-one

Chemical Property of 2,6-Diphenyl-2-methyl-4H-1,3-dioxin-4-one

Chemical Property:

• Vapor Pressure: 2.8E-08mmHg at 25°C
• Boiling Point: 449.7°Cat760mmHg
• Flash Point: 192.6°C
• Density: 1.193g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 266.094294304
• Heavy Atom Count: 20
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC(=CC(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 2,6-Diphenyl-2-methyl-4H-1,3-dioxin-4-one

There total 6 articles about 2,6-Diphenyl-2-methyl-4H-1,3-dioxin-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: 86.0%

3-phenylpropionic acid tert-butyl ester (93139-50-5) + acetophenone (98-86-2) → 2-methyl-2,6-diphenyl-4H-1,3-dioxin-4-one (72786-85-7)

Guidance literature:

With silver hexafluoroantimonate; 2-(di-tert-butylphosphino)-1,1'-biphenylgold(I) chloride; In 1,2-dichloro-ethane; at 50 ℃; for 4.5h; Inert atmosphere;

DOI:10.1039/c5cc04538j

Reference yield: 62.0%

acetophenone (98-86-2) + 5-phenylfuran-2,3-dione (55991-67-8) → 2-methyl-2,6-diphenyl-4H-1,3-dioxin-4-one (72786-85-7)

Guidance literature:

In benzene; for 3h; Heating;

Reference yield: 53.0%

2,4-dioxo-4-phenylbutanoic acid (5817-92-5) + 5-phenylfuran-2,3-dione (55991-67-8) → 2-methyl-2,6-diphenyl-4H-1,3-dioxin-4-one (72786-85-7)

Guidance literature:

In benzene; for 3h; Heating;

upstream raw materials:

acetophenone

5-phenylfuran-2,3-dione

2,4-dioxo-4-phenylbutanoic acid

3-phenylpropionic acid tert-butyl ester

Downstream raw materials:

3-oxo-3-phenylpropionanilide