Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-

Base Information

Chemical Name:Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-
CAS No.:63035-03-0
Molecular Formula:C11H6F6N2O
Molecular Weight:296.172
Hs Code.:
DSSTox Substance ID:DTXSID50384408
Nikkaji Number:J3.539.708F
Wikidata:Q82176529

Synonyms:Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-;63035-03-0;N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoacetamide;N1-[3,5-di(trifluoromethyl)phenyl]-2-cyanoacetamide;N-(3,5-Bis(trifluoromethyl)phenyl)-2-cyanoacetamide;Maybridge3_001032;DTXSID50384408;IVBUPIBQZGSJJM-UHFFFAOYSA-N;HMS1433O20;IDI1_012419;J3.539.708F

Suppliers and Price of Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-

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 1 raw suppliers

Chemical Property of Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:2
Exact Mass:296.03843179
Heavy Atom Count:20
Complexity:385

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C=C1C(F)(F)F)NC(=O)CC#N)C(F)(F)F

Technology Process of Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-

There total 1 articles about Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano- 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: 81.0%

: 372-09-8
cyanoacetic acid

: 328-74-5
3,5-Bis-(trifluoromethyl)aniline

: 63035-03-0
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoacetamide

Guidance literature:: With dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;
DOI:10.7554/eLife.54712

Reference yield: 70.0%

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

: 63035-03-0
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoacetamide

: 74-88-4
methyl iodide

: N-[3,5-bis(trifluoromethyl)phenyl]-2-cyano-3,3-bis(methylthio)acrylamide

Guidance literature:: N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoacetamide; With potassium carbonate; In N,N-dimethyl-formamide; at 25 - 35 ℃; for 2h;

carbon disulfide; In N,N-dimethyl-formamide; at 25 - 35 ℃; for 2h;

methyl iodide; In N,N-dimethyl-formamide; at 0 - 35 ℃; for 3.5h;
DOI:10.14233/ajchem.2018.21499

Reference yield: 68.0%

: 2905-62-6
3,5-dichlorobenzoyl chloride

: 63035-03-0
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoacetamide

: N-(3,5-bis(trifluoromethyl)phenyl)-2-cyano-3-(3,5-dichlorophenyl)-3-hydroxyacrylamide

Guidance literature:: N-[3,5-bis(trifluoromethyl)phenyl]-2-cyanoacetamide; With sodium hydride; In tetrahydrofuran; paraffin oil; at 0 ℃; for 0.25h;

3,5-dichlorobenzoyl chloride; In tetrahydrofuran; paraffin oil; at 0 ℃; for 1h;
DOI:10.7554/eLife.54712