Oxazolidine, 3-acetyl-

Base Information

• Chemical Name: Oxazolidine, 3-acetyl-
• CAS No.: 3672-60-4
• Molecular Formula: C5H9NO2
• Molecular Weight: 115.132
• DSSTox Substance ID: DTXSID40442960
• Nikkaji Number: J449.832A
• Wikidata: Q82260593
• Mol file: 3672-60-4.mol

Synonyms:3672-60-4;Oxazolidine, 3-acetyl-;N-ACETYLOXAZOLIDINE;3-Acetyloxazolidine;SCHEMBL4124349;DTXSID40442960;1-(1,3-oxazolidin-3-yl)ethan-1-one;EN300-7146094

Chemical Property of Oxazolidine, 3-acetyl-

Chemical Property:

• Vapor Pressure: 0.037mmHg at 25°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.063328530
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCOC1

Technology Process of Oxazolidine, 3-acetyl-

There total 4 articles about Oxazolidine, 3-acetyl- 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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-acetylaminoethanol (142-26-7) → 3-acetyl-1,3-oxazolidine (3672-60-4)

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; toluene; for 1h; Heating;

DOI:10.1021/jo952118h

Reference yield: 50.0%

1,3-oxazolidine (504-76-7) + acetyl chloride (75-36-5) → 3-acetyl-1,3-oxazolidine (3672-60-4)

Guidance literature:

With triethylamine; In benzene; at 0 - 20 ℃;

DOI:10.1021/jo00141a017

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethanolamine (141-43-5) + acetyl chloride (75-36-5) → 3-acetyl-1,3-oxazolidine (3672-60-4) + 1,6-diaza-3,8-dioxabicyclo<4.4.1>undecane

Guidance literature:

Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) C₆H₆, reflux, 2 h, 2.) Et₂O;

DOI:10.1007/BF00695844

upstream raw materials:

1,3-oxazolidine

acetyl chloride

formaldehyd

ethanolamine

Downstream raw materials:

2,3-dihydro-3-(2-hydroxyethyl)-6-phenyl-1,3-oxazin-4-one

2,3-dihydro-3-(2-chloroethyl)-6-phenyl-1,3-oxazin-4-one

Refernces

• 1、 Bertolini, Giorgio,Aquino, Mario,Ferrario, Francesco,Pavich, Gianfranco,Zaliani, Andrea,Sala, Alberto. "First synthetic method for the preparation of 6-unsubstituted-2,3-dihydro-1,3-oxazin-4-ones". . p. 3358 - 3361. Retrieved 2007/10/03.