5-Methyl-2,4-diphenyl-6H-1,3-oxazin-6-one

Base Information

• Chemical Name: 5-Methyl-2,4-diphenyl-6H-1,3-oxazin-6-one
• CAS No.: 10488-97-8
• Molecular Formula: C17H13NO2
• Molecular Weight: 263.296
• DSSTox Substance ID: DTXSID00493190
• Nikkaji Number: J3.655.935G
• Wikidata: Q82339707

Synonyms:10488-97-8;5-Methyl-2,4-diphenyl-6H-1,3-oxazin-6-one;DTXSID00493190

Chemical Property of 5-Methyl-2,4-diphenyl-6H-1,3-oxazin-6-one

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 263.094628657
• Heavy Atom Count: 20
• Complexity: 438

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 5-Methyl-2,4-diphenyl-6H-1,3-oxazin-6-one

There total 6 articles about 5-Methyl-2,4-diphenyl-6H-1,3-oxazin-6-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: 68.0%

Togni's reagent II (887144-94-7) + (E)-N-(1-phenylprop-1-en-1-yl)benzamide → 5-methyl-2,4-diphenyl-6H-1,3-oxazin-6-one (10488-97-8)

Guidance literature:

With potassium phosphate; In water; acetonitrile; at 45 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00178

Reference yield: 8.0%

benzylidene dichloride (98-87-3) + 4-methyl-3-phenyl-2H-isoxazol-5-one (29879-49-0) → 5-methyl-2,4-diphenyl-6H-1,3-oxazin-6-one (10488-97-8) + 4-(Chloro-phenyl-methyl)-4-methyl-3-phenyl-4H-isoxazol-5-one (117838-79-6)

Guidance literature:

With DBN; In acetonitrile; for 5h; Heating;

DOI:10.1055/s-1988-27660

Reference yield: 3.0%

4-methyl-3-phenyl-2H-isoxazol-5-one (29879-49-0) + benzohydroximoyl chloride (698-16-8) → 5-methyl-2,4-diphenyl-6H-1,3-oxazin-6-one (10488-97-8) + 5-methyl-3,6,7a-triphenyl-7,7a-dihydroimidazo<1,2-d>-1,2,4-oxadiazole (87927-83-1) + 8-methyl-3,5a,7,9a-tetraphenyl-4,5a,6,9a-tetrahydroimidazo<1,2-d>-1,2,4-oxadiazolo<4,5-b><1,2,4>oxadiazole (87927-84-2) + 8-methyl-3,5a,7,9a-tetraphenyl-4,5a,6,9a-tetrahydroimidazo<1,2-d>-1,2,4-oxadiazolo<4,5-b><1,2,4>oxadiazole 9-oxide (87927-85-3)

Guidance literature:

With triethylamine; In benzene; for 2h; Further byproducts given; Heating;

upstream raw materials:

benzoyl chloride

benzonitrile

2-Bromopropionic acid

benzylidene dichloride

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