Ethyl chlorocarbamate

Base Information

• Chemical Name: Ethyl chlorocarbamate
• CAS No.: 16844-21-6
• Molecular Formula: C3H6ClNO2
• Molecular Weight: 123.539
• DSSTox Substance ID: DTXSID80473975
• Nikkaji Number: J789.257H
• Wikidata: Q82303696
• Mol file: 16844-21-6.mol

Synonyms:ethyl chlorocarbamate;16844-21-6;N-chlorourethane;SCHEMBL1282361;DTXSID80473975;ICDQOGMPYSAZFB-UHFFFAOYSA-N;N-chloro-carbamic acid ethyl ester;FT-0703442

Chemical Property of Ethyl chlorocarbamate

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.0087061
• Heavy Atom Count: 7
• Complexity: 66

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NCl

Technology Process of Ethyl chlorocarbamate

There total 1 articles about Ethyl chlorocarbamate 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:

Trichloroethylene (79-01-6) + ethyl N,N-dichlorocarbamate (13698-16-3) → pentachloroethane (76-01-7) + N-Chlorourethan (16844-21-6) + (2,2,2-trichloro-ethylidene)-carbamic acid ethyl ester (16723-30-1) + 1,1,1-trichloro-2,2-di(ethoxycarbonylamino)ethane (17528-34-6) + N-(tetrachloroethyl)-N-chloroethoxycarbonylamine

Guidance literature:

In benzene-d6; Mechanism; Irradiation;

Reference yield: 86.5%

N-Chlorourethan (16844-21-6) + N-p-tolylsulfonyl-1,4-naphthoquinone-4-imine (36062-30-3) → 2-ethoxycarbonylamino-N-p-tolylsulfonyl-1,4-naphthoquinoneimine (85218-97-9)

Guidance literature:

With triethylamine; In acetone; for 0.5h; Ambient temperature;

Reference yield: 86.0%

N-Chlorourethan (16844-21-6) + C20H18N2O6S2 (93343-17-0) → {4-Ethoxycarbonylamino-3,6-bis-[(E)-4-methoxy-benzenesulfonylimino]-cyclohexa-1,4-dienyl}-carbamic acid ethyl ester (93343-21-6)

Guidance literature:

With triethylamine; In acetone;

upstream raw materials:

Trichloroethylene

ethyl N,N-dichlorocarbamate

Downstream raw materials:

1-chloro-2-di(ethoxycarbonylamino)ethane

ethyl N,N-dichlorocarbamate

diethyl iminodicarboxylate

N-chlorobenzamide