4,4,6-Trimethyl-1,3-oxazinan-2-one

Base Information

• Chemical Name: 4,4,6-Trimethyl-1,3-oxazinan-2-one
• CAS No.: 27830-77-9
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.186
• NSC Number: 141398
• DSSTox Substance ID: DTXSID20301147
• Nikkaji Number: J610.303K
• ChEMBL ID: CHEMBL1449469
• Mol file: 27830-77-9.mol

Synonyms:4,4,6-Trimethyl-1,3-oxazinan-2-one;27830-77-9;2H-1,3-Oxazin-2-one, tetrahydro-4,4,6-trimethyl-;NSC141398;4,4,6-Trimethyl-[1,3]oxazinan-2-one;BAS 00381728;starbld0041940;MLS000029256;CHEMBL1449469;DTXSID20301147;UUQAANCLLJCVDK-UHFFFAOYSA-N;HMS1671F16;HMS2156N15;CBA83077;STL327075;AKOS000538738;NSC-141398;SMR000008778;4,4,6-Trimethyl-1,3-oxazinan-2-one #;CS-0256408;4,4,6-Trimethyltetrahydro-1,3-oxazin-2-one;EN300-6482956

Chemical Property of 4,4,6-Trimethyl-1,3-oxazinan-2-one

Chemical Property:

• Vapor Pressure: 0.00343mmHg at 25°C
• Boiling Point: 282.1°Cat760mmHg
• Flash Point: 124.4°C
• Density: 0.964g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 154

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(NC(=O)O1)(C)C

Technology Process of 4,4,6-Trimethyl-1,3-oxazinan-2-one

There total 11 articles about 4,4,6-Trimethyl-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: 87.0%

methyl N-(2-methyl-3-hydroxybutyl-1)carbamate (166271-53-0) → 4,4,6-trimethyl-tetrahydro-[1,3]oxazin-2-one (27830-77-9)

Guidance literature:

methyl N-(2-methyl-3-hydroxybutyl-1)carbamate; With sodium tetrahydroborate; In ethanol;

With sodium hydroxide; In ethanol;

DOI:10.1023/A:1011660706513

Reference yield: 86.9%

Methyl-N-(1,1-dimethyl-3-oxobutyl)-carbamat (65330-08-7) → 4,4,6-trimethyl-tetrahydro-[1,3]oxazin-2-one (27830-77-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h;

DOI:10.1007/BF01165021

Reference yield:

1-dimethyl-3-oxo-butane hydrochloride (18920-76-8) → 4,4,6-trimethyl-tetrahydro-[1,3]oxazin-2-one (27830-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / aq. NaOH / diethyl ether / 0.5 h / 20 °C

2: NaBH₄ / ethanol / 1 h

With sodium hydroxide; sodium tetrahydroborate; In diethyl ether; ethanol;

DOI:10.1023/A:1011660706513

upstream raw materials:

(3-hydroxy-1,1-dimethyl-butyl)-carbamic acid ethyl ester

4-amino-4-methylpentan-2-ol

chloroformic acid ethyl ester

Methyl-N-(1,1-dimethyl-3-oxobutyl)-carbamat