3-Oxazolidinesulfonamide, N-(2-chloroethyl)-2-oxo-

Base Information

• Chemical Name: 3-Oxazolidinesulfonamide, N-(2-chloroethyl)-2-oxo-
• CAS No.: 116943-69-2
• Molecular Formula: C5H9 Cl N2 O4 S
• Molecular Weight: 228.654
• DSSTox Substance ID: DTXSID10151597
• Wikidata: Q83018078

Synonyms:116943-69-2;BRN 5537328;3-Oxazolidinesulfonamide, N-(2-chloroethyl)-2-oxo-;N-(2-Chloroethyl)-2-oxo-3-oxazolidinesulfonamide;N-(N'-Chloro-2 ethyl sulfamyl) oxazolidinone-2 [French];N-(2-Chloroethyl)-2-oxooxazolidine-3-sulfonamide;N-(N'-Chloro-2 ethyl sulfamyl) oxazolidinone-2;C5H9ClN2O4S;C5-H9-Cl-N2-O4-S;DTXSID10151597;LS-100446

Chemical Property of 3-Oxazolidinesulfonamide, N-(2-chloroethyl)-2-oxo-

Chemical Property:

• Vapor Pressure: 7.96E-05mmHg at 25°C
• Boiling Point: 341.6°C at 760 mmHg
• Flash Point: 160.4°C
• Density: 1.6g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 227.9971556
• Heavy Atom Count: 13
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(=O)N1S(=O)(=O)NCCCl

Technology Process of 3-Oxazolidinesulfonamide, N-(2-chloroethyl)-2-oxo-

There total 4 articles about 3-Oxazolidinesulfonamide, N-(2-chloroethyl)-2-oxo- 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: 11.0%

isocyanate de chlorosulfonyle (1189-71-5) + 2-chloroethanamine hydrochloride (870-24-6) + 2-bromoethanol (540-51-2) → N-(2-chloroethyl)-1,3-oxazolidine-2-one-3-sulfonamide (116943-69-2)

Guidance literature:

With diisopropylamine; In benzene;

Reference yield:

N-(2-chloroethoxycarbonyl)-N'-(2-chloroethyl)sulfonyldiamine → N-(2-chloroethyl)-1,3-oxazolidine-2-one-3-sulfonamide (116943-69-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 - 50 ℃; for 2h;

Reference yield:

2-chloroethyl chlorosulfonylcarbamate (87708-19-8) + chloroethylamine (689-98-5) → N-(2-chloroethyl)-1,3-oxazolidine-2-one-3-sulfonamide (116943-69-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.75h; Yield given;

DOI:10.1016/0040-4020(96)00860-5

upstream raw materials:

isocyanate de chlorosulfonyle

2-chloroethanamine hydrochloride

2-bromoethanol

2-chloroethyl chlorosulfonylcarbamate

Downstream raw materials:

N-(2-chloroethyl)-N'-benzylsulfamide

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