N-(Methylsulfonyl)azetidine

Base Information

• Chemical Name: N-(Methylsulfonyl)azetidine
• CAS No.: 13595-45-4
• Molecular Formula: C4H9NO2S
• Molecular Weight: 135.187
• Hs Code.: 2933990090
• NSC Number: 29207
• DSSTox Substance ID: DTXSID40283037
• Nikkaji Number: J101.184G
• Wikidata: Q82017467
• Mol file: 13595-45-4.mol

Synonyms:1-methylsulfonylazetidine;N-(Methylsulfonyl)azetidine;13595-45-4;1-(Methylsulfonyl)azetidine;Azetidine, 1-(methylsulfonyl)-;NSC29207;1-(Methylsulfonyl)azetidine #;SCHEMBL3123076;DTXSID40283037;RNCROYMBTHIPDN-UHFFFAOYSA-N;NSC-29207

Chemical Property of N-(Methylsulfonyl)azetidine

Chemical Property:

• Vapor Pressure: 0.124mmHg at 25°C
• Melting Point: 81-82 °C
• Boiling Point: 218.8°Cat760mmHg
• PKA: -3.52±0.20(Predicted)
• Flash Point: 86.1°C
• PSA: 45.76000
• Density: 1.31g/cm³
• LogP: 0.67040
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 135.03539970
• Heavy Atom Count: 8
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)N1CCC1

Technology Process of N-(Methylsulfonyl)azetidine

There total 2 articles about N-(Methylsulfonyl)azetidine 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: 88.0%

azetidine (503-29-7) + methanesulfonyl chloride (124-63-0) → 1-methanesulfonyl-azetidine (13595-45-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 4h;

DOI:10.1016/j.bmcl.2007.11.124

Reference yield:

→ 1-methanesulfonyl-azetidine (13595-45-4)

Guidance literature:

1.)Zusatz einer Lsg.v.Na in abs.A.(in 1 Portion) zu N-(3-Chlorpropyl)-methansulfonamid in sd.abs.A.(48 Std.) 2.)Befreiung von ausgeschiedenem NaCl 3.)Abdest.d.Lsgsm. 4.)Extraktion mit Chlf.;

DOI:10.1021/jo01060a033

Reference yield: 78.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 1-methanesulfonyl-azetidine (13595-45-4) → 2-(azetidine-1-sulfonyl)-1-phenyl-ethanone (845281-74-5)

Guidance literature:

1-methanesulfonyl-azetidine; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 2h;

benzoic acid methyl ester; In tetrahydrofuran; Further stages.;

DOI:10.1016/j.bmcl.2007.11.124

upstream raw materials:

azetidine

methanesulfonyl chloride

Downstream raw materials:

2-(azetidine-1-sulfonyl)-1-phenyl-ethanone

Refernces