Diethylthiocarbamic acid S-2-chloroallyl ester

Base Information

• Chemical Name: Diethylthiocarbamic acid S-2-chloroallyl ester
• CAS No.: 18283-60-8
• Molecular Formula: C8H14ClNOS
• Molecular Weight: 207.7209
• DSSTox Substance ID: DTXSID00171345
• Nikkaji Number: J67.576H
• Mol file: 18283-60-8.mol

Synonyms:Diethylthiocarbamic acid S-2-chloroallyl ester;BRN 1772270;CARBAMIC ACID, DIETHYLTHIO-, S-2-CHLOROALLYL ESTER;2-Chloroallyl N,N-diethyl thiolcarbamate;C8H14ClNOS;18283-60-8;4-04-00-00387 (Beilstein Handbook Reference);C8-H14-Cl-N-O-S;SCHEMBL6304971;DTXSID00171345;LS-49339;Diethylthiocarbamic acid S-(2-chloroallyl) ester

Chemical Property of Diethylthiocarbamic acid S-2-chloroallyl ester

Chemical Property:

• Vapor Pressure: 0.0195mmHg at 25°C
• Boiling Point: 252.3°Cat760mmHg
• Flash Point: 106.4°C
• Density: 1.121g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 207.0484629
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)SCC(=C)Cl

Technology Process of Diethylthiocarbamic acid S-2-chloroallyl ester

There total 1 articles about Diethylthiocarbamic acid S-2-chloroallyl 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:

carbon oxide sulfide (463-58-1) + diethylamine (109-89-7) → diethyl-thiocarbamic acid S-(2-chloro-allyl ester) (18283-60-8)

Guidance literature:

With ethanol; und anschliessenden Erwaermen mit 2,3-Dichlor-propen;

DOI:10.1021/ja01512a052

Reference yield:

diethyl-thiocarbamic acid S-(2-chloro-allyl ester) (18283-60-8) → C8H14ClNO2S (71387-20-7)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform-d1;

DOI:10.1016/S0040-4039(01)93566-X

upstream raw materials:

carbon oxide sulfide

diethylamine

Downstream raw materials:

C₈H₁₄ClNO₂S

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