2,6-Dimethyl-5-phenyl-1,3-oxazin-4-one;perchloric acid

Base Information

• Chemical Name: 2,6-Dimethyl-5-phenyl-1,3-oxazin-4-one;perchloric acid
• CAS No.: 63673-58-5
• Molecular Formula: C12H11NO2.ClHO4
• Molecular Weight: 301.683
• DSSTox Substance ID: DTXSID20493470

Synonyms:63673-58-5;DTXSID20493470;Perchloric acid--2,6-dimethyl-5-phenyl-4H-1,3-oxazin-4-one (1/1)

Chemical Property of 2,6-Dimethyl-5-phenyl-1,3-oxazin-4-one;perchloric acid

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 301.0353148
• Heavy Atom Count: 20
• Complexity: 450

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N=C(O1)C)C2=CC=CC=C2.OCl(=O)(=O)=O

Technology Process of 2,6-Dimethyl-5-phenyl-1,3-oxazin-4-one;perchloric acid

There total 2 articles about 2,6-Dimethyl-5-phenyl-1,3-oxazin-4-one;perchloric acid 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: 96.0%

N-acetyl-β-phenylacetoacetamide (122664-30-6) → 2,6-dimethyl-5-phenyl-4-oxo-1,3-oxazinium perchlorate (63673-58-5)

Guidance literature:

With perchloric acid; acetic anhydride; In chloroform; for 2h; Ambient temperature;

DOI:10.1002/jhet.5570360115

Reference yield:

Benzeneacetamide (103-81-1) → 2,6-dimethyl-5-phenyl-4-oxo-1,3-oxazinium perchlorate (63673-58-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / BF₃, AcOH / 48 h

2: 96 percent / HClO₄, Ac₂O / CHCl₃ / 2 h / Ambient temperature

With perchloric acid; boron trifluoride; acetic anhydride; acetic acid; In chloroform;

DOI:10.1002/jhet.5570360115

Reference yield: 100.0%

2,6-dimethyl-5-phenyl-4-oxo-1,3-oxazinium perchlorate (63673-58-5) + 4-amino-phenol (123-30-8) → perchlorate 2,6-dimethyl-5-phenyl-1-(4'-hydroxyphenyl)-4-oxopyrimidinium (122664-34-0)

Guidance literature:

In acetic acid; for 48h; Ambient temperature;

DOI:10.1002/jhet.5570360115

upstream raw materials:

N-acetyl-β-phenylacetoacetamide

Benzeneacetamide

Downstream raw materials:

perchlorate 2,6-dimethyl-5-phenyl-1-(4'-hydroxyphenyl)-4-oxopyrimidinium

perchlorate 2,6-dimethyl-5-phenyl-1-(2'-hydroxyphenyl)-4-oxopyrimidinium

perchlorate 2,6-dimethyl-5-phenyl-1-(3'-hydroxyphenyl)-4-oxopyrimidinium

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