3-Butyl-6-phenyl-1,3-oxazinan-2-one

Base Information

Chemical Name:3-Butyl-6-phenyl-1,3-oxazinan-2-one
CAS No.:127704-15-8
Molecular Formula:C14H19NO2
Molecular Weight:233.31
Hs Code.:
DSSTox Substance ID:DTXSID60562715
Nikkaji Number:J1.938.015G
Mol file:127704-15-8.mol

Synonyms:3-Butyl-6-phenyl-1,3-oxazinan-2-one;127704-15-8;DTXSID60562715

Suppliers and Price of 3-Butyl-6-phenyl-1,3-oxazinan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-Butyl-6-phenyl-1,3-oxazinan-2-one

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:233.141578849
Heavy Atom Count:17
Complexity:249

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN1CCC(OC1=O)C2=CC=CC=C2

Technology Process of 3-Butyl-6-phenyl-1,3-oxazinan-2-one

There total 3 articles about 3-Butyl-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: 79.0%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 504437-83-6
C₇H₁₄NO₂⁽¹⁺⁾

: 127704-15-8
3-butyl-6-phenyl-3,4,5,6-tetrahydro-[1,3]-oxazin-2-one

polystyrene: polystyrene

Guidance literature:: styrene; C₇H₁₄NO₂⁽¹⁺⁾; In dichloromethane; at -78 ℃;

With triethylamine; In dichloromethane; at -78 ℃;
DOI:10.1021/ol0341243

Reference yield:

: 4436-23-1
2-phenyloxetane

: 111-36-4
n-butyl isocyanide

: 127704-15-8
3-butyl-6-phenyl-3,4,5,6-tetrahydro-[1,3]-oxazin-2-one

: 127704-14-7
3-Butyl-4-phenyl-[1,3]oxazinan-2-one

Guidance literature:: With tetraphenyl stibonium iodide; In benzene; at 80 ℃; for 40h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

: 2594-21-0
methyl N-butylcarbamate

: 127704-15-8
3-butyl-6-phenyl-3,4,5,6-tetrahydro-[1,3]-oxazin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / dimethylformamide / 2 h / 60 °C

1.2: 67 percent / dimethylformamide / 14.5 h / 60 °C

2.1: Bu₄NBF₄; CF₃SO₃H / CH₂Cl₂ / -78 °C / Electrolysis

2.2: CH₂Cl₂ / -78 °C / micromixing

2.3: 79 percent / Et₃N / CH₂Cl₂ / -78 °C

With trifluorormethanesulfonic acid; tetrabutylammonium tetrafluoroborate; sodium hydride; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1246/bcsj.78.1206