2,5-dimethyl-4-phenyl-6H-1,3-oxazin-6-one

Base Information

• Chemical Name: 2,5-dimethyl-4-phenyl-6H-1,3-oxazin-6-one
• CAS No.: 63892-26-2
• Molecular Formula: C12H11NO2
• Molecular Weight: 201.225
• DSSTox Substance ID: DTXSID90493189
• Wikidata: Q82339705

Synonyms:63892-26-2;2,5-dimethyl-4-phenyl-6H-1,3-oxazin-6-one;SCHEMBL9775658;DTXSID90493189

Chemical Property of 2,5-dimethyl-4-phenyl-6H-1,3-oxazin-6-one

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-dimethyl-4-phenyl-6H-1,3-oxazin-6-one

There total 2 articles about 2,5-dimethyl-4-phenyl-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:

benzonitrile (100-47-0) + acetyl chloride (75-36-5) + 2-Bromopropionic acid (598-72-1,10327-08-9) → 2,5-dimethyl-4-phenyl-[1,3]oxazin-6-one (63892-26-2)

Guidance literature:

Multistep reaction; (i) (esterification), (ii) /BRN= 506893/, Zn, benzene, (iii) /BRN= 605303/;

Reference yield:

→ 2,5-dimethyl-4-phenyl-[1,3]oxazin-6-one (63892-26-2)

Guidance literature:

Reference yield:

2,5-dimethyl-4-phenyl-[1,3]oxazin-6-one (63892-26-2) → 2,5-dimethyl-4-hydroxy-6-phenyl-N-(2-thiazolyl)-3-pyridine carboxamide (118289-29-5)

Guidance literature:

With hydrogenchloride; potassium tert-butylate; In tetrahydrofuran; ethanol; water; ethyl acetate;

upstream raw materials:

benzonitrile

acetyl chloride

2-Bromopropionic acid

Downstream raw materials:

2,5-dimethyl-4-hydroxy-6-phenyl-N-(2-thiazolyl)-3-pyridine carboxamide

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