Methyl 2-[(2-cyanoethyl)thio]acetate

Base Information

• Chemical Name: Methyl 2-[(2-cyanoethyl)thio]acetate
• CAS No.: 60785-76-4
• Molecular Formula: C₆H₉NO₂S
• Molecular Weight: 159.209
• DSSTox Substance ID: DTXSID90381219
• Wikidata: Q82171913
• Mol file: 60785-76-4.mol

Synonyms:methyl 2-[(2-cyanoethyl)thio]acetate;60785-76-4;methyl 2-(2-cyanoethylsulfanyl)acetate;METHYL2-[(2-CYANOETHYL)THIO]ACETATE;Acetic acid,2-[(2-cyanoethyl)thio]-,methyl ester;Methyl 2-((2-cyanoethyl)thio)acetate;methyl 2-[(2-cyanoethyl)sulfanyl]acetate;DTXSID90381219;AKOS005199256;CS-0253564;FT-0628421;EN300-6473049;J-521790

Chemical Property of Methyl 2-[(2-cyanoethyl)thio]acetate

Chemical Property:

• Vapor Pressure: 0.00597mmHg at 25°C
• Boiling Point: 272.7°C at 760 mmHg
• Flash Point: 118.8°C
• PSA: 75.39000
• Density: 1.15g/cm³
• LogP: 0.80628
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 159.03539970
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

METHYL 2-[(2-CYANOETHYL)THIO]ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CSCCC#N

Technology Process of Methyl 2-[(2-cyanoethyl)thio]acetate

There total 1 articles about Methyl 2-[(2-cyanoethyl)thio]acetate 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: 69.0%

Methyl thioglycolate (2365-48-2) + acrylonitrile (107-13-1,25014-41-9) → (2-cyanoethanethio)acetic acid methyl ester (60785-76-4)

Guidance literature:

With diethylamine; at 30 ℃; for 2h;

upstream raw materials:

Methyl thioglycolate

acrylonitrile

Refernces