2-Chloroethyl (4-chlorobenzene-1-sulfonyl)carbamate

Base Information

• Chemical Name: 2-Chloroethyl (4-chlorobenzene-1-sulfonyl)carbamate
• CAS No.: 63924-75-4
• Molecular Formula: C₉H₉Cl₂NO₄S
• Molecular Weight: 298.147
• NSC Number: 139098
• DSSTox Substance ID: DTXSID00300810
• Wikidata: Q82044169
• Mol file: 63924-75-4.mol

Synonyms:63924-75-4;NSC139098;2-Chloroethyl (4-chlorobenzene-1-sulfonyl)carbamate;DTXSID00300810;NSC-139098

Chemical Property of 2-Chloroethyl (4-chlorobenzene-1-sulfonyl)carbamate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.491g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 296.9629343
• Heavy Atom Count: 17
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)NC(=O)OCCCl)Cl

Technology Process of 2-Chloroethyl (4-chlorobenzene-1-sulfonyl)carbamate

There total 1 articles about 2-Chloroethyl (4-chlorobenzene-1-sulfonyl)carbamate 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: 70.0%

4-Chlorophenylsulfonyl isocyanate (5769-15-3) + 2-chloro-ethanol (107-07-3) → 2-chloroethyl 4-chlorobenzenesulfonyl carbamate (63924-75-4)

Guidance literature:

In diethyl ether; for 0.5h;

Reference yield: 71.0%

2-chloroethyl 4-chlorobenzenesulfonyl carbamate (63924-75-4) → 3-((4-chlorophenyl)sulfonyl)oxazolidin-2-one (74668-35-2)

Guidance literature:

In pyridine; benzene; 1. reflux, 4h; 2. r.t., 3 days;

Reference yield:

2-chloroethyl 4-chlorobenzenesulfonyl carbamate (63924-75-4) → N-(2-hydroxyethyl)-4-chlorobenzenesulfonamide (6419-69-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 71 percent / benzene; pyridine / 1. reflux, 4h; 2. r.t., 3 days

2: 56 percent / 2M aq. sodium hydroxide / Heating

With sodium hydroxide; In pyridine; benzene;

upstream raw materials:

4-Chlorophenylsulfonyl isocyanate

2-chloro-ethanol

Downstream raw materials:

3-((4-chlorophenyl)sulfonyl)oxazolidin-2-one

N-(2-hydroxyethyl)-4-chlorobenzenesulfonamide

Refernces