2-(Dimethylamino)-4-methyl-5-phenyl-6H-1,3-oxazin-6-one

Base Information

• Chemical Name: 2-(Dimethylamino)-4-methyl-5-phenyl-6H-1,3-oxazin-6-one
• CAS No.: 106013-78-9
• Molecular Formula: C13H14N2O2
• Molecular Weight: 230.266
• DSSTox Substance ID: DTXSID20543449
• Wikidata: Q82420330

Synonyms:106013-78-9;DTXSID20543449;2-(Dimethylamino)-4-methyl-5-phenyl-6H-1,3-oxazin-6-one;2-dimethylamino-4-methyl-5-phenyl-[1,3]oxazin-6-one;2-dimethylamino-4-methyl-5-phenyl-1,3-oxazin-6-one

Chemical Property of 2-(Dimethylamino)-4-methyl-5-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: 2
• Exact Mass: 230.105527694
• Heavy Atom Count: 17
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)OC(=N1)N(C)C)C2=CC=CC=C2

Technology Process of 2-(Dimethylamino)-4-methyl-5-phenyl-6H-1,3-oxazin-6-one

There total 2 articles about 2-(Dimethylamino)-4-methyl-5-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: 73.0%

3-methyl-4-phenyl-2H-isoxazol-5-one (29879-48-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-Dimethylamino-4-methyl-5-phenyl-[1,3]oxazin-6-one (106013-78-9)

Guidance literature:

With trichlorophosphate; In tetrachloromethane; for 2.5h; Mechanism; Heating; other isoxazolin-5-ones, other reaction time;

DOI:10.1021/jo00391a048

Reference yield: 45.0%

(Z)-3-(3,3-Dimethyl-ureido)-2-phenyl-but-2-enoic acid methyl ester (106013-82-5) → 2-Dimethylamino-4-methyl-5-phenyl-[1,3]oxazin-6-one (106013-78-9)

Guidance literature:

In diphenylether; Heating;

DOI:10.1016/S0040-4039(00)84058-7

Reference yield: 97.0%

2-Dimethylamino-4-methyl-5-phenyl-[1,3]oxazin-6-one (106013-78-9) → ((Z)-2-Dimethylcarbamoyl-1-methyl-2-phenyl-vinyl)-carbamic acid methyl ester (108471-67-6)

Guidance literature:

With methanol; for 72h; Heating;

DOI:10.1021/jo00391a048

upstream raw materials:

3-methyl-4-phenyl-2H-isoxazol-5-one

N,N-dimethyl-formamide

(Z)-3-(3,3-Dimethyl-ureido)-2-phenyl-but-2-enoic acid methyl ester

Downstream raw materials:

(Z)-3-(3,3-Dimethyl-ureido)-2-phenyl-but-2-enoic acid methyl ester

2-Dimethylamino-2-methoxy-4-methyl-5-phenyl-2,3-dihydro-[1,3]oxazin-6-one

N,N-Dimethyl-2-phenylacetoacetamid

4-methyl-5-(phenyl)-2H-1,3-oxazine-2,6(3H)-dione

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