3-(4-Chlorophenyl)-1,3-oxazinan-2-one

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-1,3-oxazinan-2-one
• CAS No.: 61308-50-7
• Molecular Formula: C10H10ClNO2
• Molecular Weight: 211.648
• DSSTox Substance ID: DTXSID90541174
• Nikkaji Number: J277.255H
• Wikidata: Q82417441
• Mol file: 61308-50-7.mol

Synonyms:3-(4-Chlorophenyl)-1,3-oxazinan-2-one;61308-50-7;DTXSID90541174

Chemical Property of 3-(4-Chlorophenyl)-1,3-oxazinan-2-one

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 211.0400063
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)OC1)C2=CC=C(C=C2)Cl

Technology Process of 3-(4-Chlorophenyl)-1,3-oxazinan-2-one

There total 4 articles about 3-(4-Chlorophenyl)-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: 86.0%

carbon dioxide (124-38-9,18923-20-1) + 4-chloro-aniline (106-47-8) + 1,3-Dichloropropane (142-28-9) → 3-(4-chlorophenyl)-1,3-oxazinan-2-one (61308-50-7)

Guidance literature:

With tetrabutylammomium bromide; caesium carbonate; 3-butyl-1-methylimidazolium acetate; In neat (no solvent); at 90 ℃; for 6h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/cctc.201800142

Reference yield: 46.0%

trimethylene oxide (503-30-0) + p-chlorphenylisocyanate (104-12-1) → 3-(4-chlorophenyl)-1,3-oxazinan-2-one (61308-50-7)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; diphenyltin diiodide; at 80 ℃; for 3h; sealed tube;

Reference yield:

1-bromo-3-(4-chloro-phenylcarbamoyloxy)-propane (29425-66-9) → 3-(4-chlorophenyl)-1,3-oxazinan-2-one (61308-50-7)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1016/S0040-4039(01)97802-5

upstream raw materials:

1-bromo-3-(4-chloro-phenylcarbamoyloxy)-propane

trimethylene oxide

p-chlorphenylisocyanate

carbon dioxide