1-Acetylazetidin-3-one

Base Information

• Chemical Name: 1-Acetylazetidin-3-one
• CAS No.: 179894-05-4
• Molecular Formula: C5H7NO2
• Molecular Weight: 113.11500
• European Community (EC) Number: 836-980-9
• DSSTox Substance ID: DTXSID50442315
• Nikkaji Number: J764.807C
• Wikidata: Q82259526
• Mol file: 179894-05-4.mol

Synonyms:1-acetylazetidin-3-one;179894-05-4;SCHEMBL6840184;DTXSID50442315;MFCD17012868;PB41364;PS-15657;CS-0380562;FT-0749128;D96529;EN300-1600345

Chemical Property of 1-Acetylazetidin-3-one

Chemical Property:

• PSA: 37.38000
• LogP: -0.64450
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.047678466
• Heavy Atom Count: 8
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

1-ACETYLAZETIDIN-3-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CC(=O)C1

Technology Process of 1-Acetylazetidin-3-one

There total 4 articles about 1-Acetylazetidin-3-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: 69.0%

N-acetyl-3-methyleneazetidine → N-acetylazetidin-3-one (179894-05-4)

Guidance literature:

With ozone; In dichloromethane; at -40 ℃; for 2h;

DOI:10.1080/00397919908086047

Reference yield: 61.0%

1-(3-hydroxyazetidin-1-yl)ethanone (118972-96-6) → N-acetylazetidin-3-one (179894-05-4)

Guidance literature:

With dipyridinium dichromate; In 1,2-dichloro-ethane; Heating;

DOI:10.1021/jo9602579

Reference yield:

N-acetyl-3-acetoxyazetidine (143329-27-5) → N-acetylazetidin-3-one (179894-05-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / potassium carbonate / H₂O; methanol / 1 h / Heating

2: 61 percent / pyridinium dichromate / 1,2-dichloro-ethane / Heating

With dipyridinium dichromate; potassium carbonate; In methanol; water; 1,2-dichloro-ethane;

DOI:10.1021/jo9602579

upstream raw materials:

1-(3-hydroxyazetidin-1-yl)ethanone

N-acetyl 3-(bromomethyl)-3-chloro azetidine

N-acetyl-3-acetoxyazetidine