6-Phenyl-1,3-oxazinan-2-one

Base Information

• Chemical Name: 6-Phenyl-1,3-oxazinan-2-one
• CAS No.: 6638-33-1
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• NSC Number: 48047
• DSSTox Substance ID: DTXSID70286854
• Nikkaji Number: J3.505.165A

Synonyms:6-phenyl-1,3-oxazinan-2-one;6638-33-1;NSC48047;SCHEMBL1705219;6-phenyl -1,3-oxazinan-2-one;6-phenyl-1,3-oxa zinan-2-one;DTXSID70286854;PURQAUNFFUUYME-UHFFFAOYSA-N;NSC-48047

Chemical Property of 6-Phenyl-1,3-oxazinan-2-one

Chemical Property:

• Vapor Pressure: 5.69E-07mmHg at 25°C
• Boiling Point: 411.2°Cat760mmHg
• Flash Point: 202.5°C
• Density: 1.149g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)OC1C2=CC=CC=C2

Technology Process of 6-Phenyl-1,3-oxazinan-2-one

There total 9 articles about 6-Phenyl-1,3-oxazinan-2-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: 72.0%

carbon monoxide (201230-82-2) + 3-amino-1-phenylpropan-1-ol (5053-63-4) → 1,3-bis(3-hydroxy-3-phenylpropyl)urea + 6-phenyltetrahydro-1,3-oxazin-2-one (6638-33-1)

Guidance literature:

With pyridine; tungsten hexacarbonyl; iodine; In dichloromethane; at 40 ℃; for 18h; under 60800 Torr;

DOI:10.1021/jo0521908

Reference yield: 49.0%

3-amino-1-phenylpropan-1-ol (5053-63-4) + 1,1'-carbonyldiimidazole (530-62-1) → 1,3-bis(3-hydroxy-3-phenylpropyl)urea + 6-phenyltetrahydro-1,3-oxazin-2-one (6638-33-1)

Guidance literature:

In tetrahydrofuran; for 18h;

DOI:10.1021/jo0521908

Reference yield: 47.0%

S,S-dimethyl dithiocarbonate (868-84-8) + 3-amino-1-phenylpropan-1-ol (5053-63-4) → 1,3-bis(3-hydroxy-3-phenylpropyl)urea + 6-phenyltetrahydro-1,3-oxazin-2-one (6638-33-1)

Guidance literature:

In methanol; for 18h;

DOI:10.1021/jo0521908

upstream raw materials:

4-hydroxy-4-phenylbutyric acid hydrazide

S,S-dimethyl dithiocarbonate

3-amino-1-phenylpropan-1-ol

carbon monoxide

Downstream raw materials:

3-amino-1-phenylpropan-1-ol

3-methyl-6-phenyltetrahydro-1,3-oxazin-2-one

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