Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester

Base Information

Chemical Name:Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester
CAS No.:61998-04-7
Molecular Formula:C13H17NOS2
Molecular Weight:267.416
Hs Code.:
DSSTox Substance ID:DTXSID40389700
Nikkaji Number:J1.022.597C
Wikidata:Q82185751
ChEMBL ID:CHEMBL1425271

Synonyms:Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester;61998-04-7;MLS000563247;CHEMBL1425271;SCHEMBL11611339;DTXSID40389700;HMS2405E21;STK325155;AKOS000568540;SMR000177347;2-oxo-2-phenylethyl diethylcarbamodithioate;Diethyldithiocarbamic acid 2-oxo-2-phenylethyl ester;BRD-K23155881-001-07-9

Suppliers and Price of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester

Chemical Property:

PSA：77.70000
LogP:3.22920
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:267.07515651
Heavy Atom Count:17
Complexity:258

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)C(=S)SCC(=O)C1=CC=CC=C1

Technology Process of Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl ester

There total 7 articles about Diethyl-dithiocarbamic acid 2-oxo-2-phenyl-ethyl 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: 89.0%

: 75-15-0,12122-00-8
carbon disulfide

: 109-89-7
diethylamine

: 70-11-1
α-bromoacetophenone

: 61998-04-7
α-phenacyl N,N-diethyldithiocarbamate

Guidance literature:: at 0 - 20 ℃; for 5.5h; neat (no solvent);
DOI:10.1016/j.tet.2010.08.041

Reference yield: 83.0%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 75-15-0,12122-00-8
carbon disulfide

: 109-89-7
diethylamine

: 61998-04-7
α-phenacyl N,N-diethyldithiocarbamate

Guidance literature:: styrene; With N-Bromosuccinimide; In water; at 20 ℃; for 12h; Green chemistry;

carbon disulfide; diethylamine; With potassium carbonate; In water; at 0 - 5 ℃; for 5h; Green chemistry;
DOI:10.1055/s-0040-1707258