ESTER-105

Base Information

• Chemical Name: ESTER-105
• CAS No.: 10264-39-8
• Molecular Formula: C8H14N2S2
• Molecular Weight: 202.34000
• DSSTox Substance ID: DTXSID70470716
• Nikkaji Number: J1.613.671I
• Wikidata: Q82298876
• Mol file: 10264-39-8.mol

Synonyms:2-cyanoethyl diethylcarbamodithioate;2-Cyanoethyldiethyldithiocarbamat;diethyl-dithiocarbamic acid-(2-cyano-ethyl ester);Carbamodithioic acid,diethyl-,2-cyanoethyl ester;Diaethyl-dithiocarbamidsaeure-(2-cyan-aethylester);3-(Diaethyl-thiocarbamoylmercapto)-propionitril;

Chemical Property of ESTER-105

Chemical Property:

• PSA: 84.42000
• LogP: 2.25998
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 202.05984080
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)SCCC#N

Technology Process of ESTER-105

There total 4 articles about ESTER-105 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: 97.0%

carbon disulfide (75-15-0,12122-00-8) + diethylamine (109-89-7) + acrylonitrile (107-13-1,25014-41-9) → diethyldithiocarbamic acid 2-cyanoethyl ester (10264-39-8)

Guidance literature:

at 0 - 20 ℃;

DOI:10.1055/s-2007-991085

Reference yield:

diethyldithiocarbamate (392-74-5) + acrylonitrile (107-13-1,25014-41-9) → diethyldithiocarbamic acid 2-cyanoethyl ester (10264-39-8)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 2h; Inert atmosphere;

Reference yield:

sodium N,N-diethyldithiocarbamate (148-18-5) + acrylonitrile (107-13-1,25014-41-9) → diethyldithiocarbamic acid 2-cyanoethyl ester (10264-39-8)

Guidance literature:

With water;

upstream raw materials:

carbon disulfide

diethylamine

acrylonitrile

sodium N,N-diethyldithiocarbamate

Downstream raw materials:

diethyldithiocarbamic acid 2-carbamoylethyl ester