Propanedioic acid, [[(3-bromophenyl)amino]thioxomethyl]-, diethyl ester

Base Information

Chemical Name:Propanedioic acid, [[(3-bromophenyl)amino]thioxomethyl]-, diethyl ester
CAS No.:3288-18-4
Molecular Formula:C14H16BrNO4S
Molecular Weight:374.255
Hs Code.:
DSSTox Substance ID:DTXSID50464936
Wikidata:Q82290513

Synonyms:3288-18-4;Propanedioic acid, [[(3-bromophenyl)amino]thioxomethyl]-, diethyl ester;DTXSID50464936

Suppliers and Price of Propanedioic acid, [[(3-bromophenyl)amino]thioxomethyl]-, diethyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Propanedioic acid, [[(3-bromophenyl)amino]thioxomethyl]-, diethyl ester

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:372.99834
Heavy Atom Count:21
Complexity:373

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(=S)NC1=CC(=CC=C1)Br)C(=O)OCC

Technology Process of Propanedioic acid, [[(3-bromophenyl)amino]thioxomethyl]-, diethyl ester

There total 5 articles about Propanedioic acid, [[(3-bromophenyl)amino]thioxomethyl]-, diethyl 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: 68.0%

: sodium diethyl (3-bromophenyl)thiocarbamoylmalonate

: 3288-18-4
diethyl (3-bromophenyl)thiocarbamoylmalonate

Guidance literature:: With hydrogenchloride; pH=7;
DOI:10.1002/jccs.200400196

Reference yield:

: 2131-59-1
3-bromophenyl isothiocyanate

: 105-53-3
diethyl malonate

: 3288-18-4
diethyl (3-bromophenyl)thiocarbamoylmalonate

Guidance literature:: diethyl malonate; With sodium; In ethanol; at 20 ℃; for 0.25h;

3-bromophenyl isothiocyanate; In ethanol; for 2h;

With hydrogenchloride; In water; for 0.25h;

Reference yield:

: 105-53-3
diethyl malonate

: 3288-18-4
diethyl (3-bromophenyl)thiocarbamoylmalonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaOEt / ethanol / 0.25 h / 20 °C

1.2: 70 percent / ethanol / 6 h

2.1: 68 percent / aq. HCl / pH 7

With hydrogenchloride; sodium ethanolate; In ethanol;
DOI:10.1002/jccs.200400196