Carbamic acid, diethyl-, 2-chloroethyl ester

Base Information

• Chemical Name: Carbamic acid, diethyl-, 2-chloroethyl ester
• CAS No.: 20485-87-4
• Molecular Formula: C₇H₁₄ClNO₂
• Molecular Weight: 179.647
• DSSTox Substance ID: DTXSID20174454
• Wikidata: Q83044533
• Mol file: 20485-87-4.mol

Synonyms:Diethylcarbamic acid 2-chloroethyl ester;CB 23;BRN 1764113;CARBAMIC ACID, DIETHYL-, 2-CHLOROETHYL ESTER;20485-87-4;4-04-00-00378 (Beilstein Handbook Reference);DTXSID20174454;LS-49300

Chemical Property of Carbamic acid, diethyl-, 2-chloroethyl ester

Chemical Property:

• Vapor Pressure: 0.103mmHg at 25°C
• Boiling Point: 222.2°Cat760mmHg
• Flash Point: 88.2°C
• Density: 1.08g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 179.0713064
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)OCCCl

Technology Process of Carbamic acid, diethyl-, 2-chloroethyl ester

There total 5 articles about Carbamic acid, diethyl-, 2-chloroethyl ester 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: 45.0%

carbon dioxide (124-38-9,18923-20-1) + 1,2-dichloro-ethane (107-06-2,52399-93-6) + diethylamine (109-89-7) → diethyl-carbamic acid-(2-chloro-ethyl ester) (20485-87-4)

Guidance literature:

With 2-cyclohexyl-1,1,3,3-tetramethylguanidine; In acetonitrile; at 70 ℃; under 4137.2 - 8274.4 Torr;

DOI:10.1039/c39940000699

Reference yield:

2-Chloroethyl chloroformate (627-11-2) + diethylamine (109-89-7) → diethyl-carbamic acid-(2-chloro-ethyl ester) (20485-87-4)

Guidance literature:

With benzene;

DOI:10.1021/ja01853a064

Reference yield:

diethyl-carbamic acid-(2-hydroxy-ethyl ester) (13027-09-3) → diethyl-carbamic acid-(2-chloro-ethyl ester) (20485-87-4)

Guidance literature:

With thionyl chloride;

upstream raw materials:

diethyl-carbamic acid-(2-hydroxy-ethyl ester)

2-Chloroethyl chloroformate

diethylamine

oxirane

Downstream raw materials:

N,N-diethylcarbacholine