Ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate

Base Information

Chemical Name:Ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate
CAS No.:23593-51-3
Molecular Formula:C12H12 N2 O2 S
Molecular Weight:248.305
Hs Code.:2930909090
European Community (EC) Number:671-423-1
DSSTox Substance ID:DTXSID60395383
Mol file:23593-51-3.mol

Synonyms:ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate;23593-51-3;3-Anilino-2-cyano-3-mercaptoacrylic acid ethyl ester;DTXSID60395383;FT-0638340;(Z)-ethyl 2-cyano-3-mercapto-3-(phenylamino)acrylate

Suppliers and Price of Ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate

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

Oakwood
3-Anilino-2-cyano-3-mercaptoacrylicacidethylester
25g
$ 360.00

Oakwood
3-Anilino-2-cyano-3-mercaptoacrylicacidethylester
5g
$ 120.00

Oakwood
3-Anilino-2-cyano-3-mercaptoacrylicacidethylester
1g
$ 40.00

American Custom Chemicals Corporation
ETHYL 3-ANILINO-2-CYANO-3-MERCAPTOACRYLATE 95.00%
25G
$ 1266.11

American Custom Chemicals Corporation
ETHYL 3-ANILINO-2-CYANO-3-MERCAPTOACRYLATE 95.00%
5G
$ 847.72

Total 5 raw suppliers

Chemical Property of Ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate

Chemical Property:

Vapor Pressure:8.3E-06mmHg at 25°C
Melting Point:118-119°C
Boiling Point:374.5°C at 760 mmHg
PKA:6.34±0.70(Predicted)
Flash Point:180.3°C
PSA：100.92000
Density:1.269g/cm³
LogP:2.39958
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:248.06194880
Heavy Atom Count:17
Complexity:351

Purity/Quality:

97% ^*data from raw suppliers

3-Anilino-2-cyano-3-mercaptoacrylicacidethylester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(=C(NC1=CC=CC=C1)S)C#N

Technology Process of Ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate

There total 2 articles about Ethyl 3-anilino-2-cyano-3-sulfanylprop-2-enoate 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:

: 103-72-0
phenyl isothiocyanate

: 105-56-6
ethyl 2-cyanoacetate

: 23593-51-3
ethyl 2-cyano-3-mercapto-3-(phenylamino)acrylate

Guidance literature:: With potassium hydroxide; In N,N-dimethyl-formamide;
DOI:10.1002/jhet.2153

Reference yield:

: 23593-51-3
ethyl 2-cyano-3-mercapto-3-(phenylamino)acrylate

Guidance literature:: NC-CH2-CO2C2H5, C6H5NCS mit NaOC2H5;

Reference yield: 78.0%

: 23593-51-3
ethyl 2-cyano-3-mercapto-3-(phenylamino)acrylate

: 2-[N-(chloroacetyl)amino]-5-(p-nitrophenyl)azo-thiazole

: C₂₃H₁₉N₇O₅S₂

Guidance literature:: ethyl 2-cyano-3-mercapto-3-(phenylamino)acrylate; With sodium ethanolate; In ethanol; Heating;

2-[N-(chloroacetyl)amino]-5-(p-nitrophenyl)azo-thiazole; In ethanol; for 0.25h; Reflux;
DOI:10.1002/jhet.2153