2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide

Base Information Edit

Chemical Name:2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide
CAS No.:24522-30-3
Molecular Formula:C10H7 F3 N2 O
Molecular Weight:228.174
Hs Code.:2926909090
European Community (EC) Number:642-278-1
UNII:T4N584WTC2
DSSTox Substance ID:DTXSID50179275
Nikkaji Number:J2.887.041H
Wikidata:Q27289661
Mol file:24522-30-3.mol

Synonyms:24522-30-3;2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide;2-Cyano-N-(4-(trifluoromethyl)phenyl)acetamide;Acetamide, 2-cyano-N-[4-(trifluoromethyl)phenyl]-;UNII-T4N584WTC2;Leflunomide impurity H [EP];T4N584WTC2;Acetamide, 2-cyano-N-(4-(trifluoromethyl)phenyl)-;p-Acetotoluidide, 2-cyano-alpha,alpha,alpha-trifluoro-;Leflunomide impurity, 2-cyano-acetic acid-(4'-trifluoromethyl)-anilide- [USP];Acetamide,2-cyano-N-[4-(trifluoromethyl)phenyl]-;SCHEMBL1498374;DTXSID50179275;4'-trifluoromethyl-cyanoacetanilide;CS-M2760;MFCD05669245;STL072961;AKOS000166723;BS-3667;MS-0655;N-(4-trifluoromethylphenyl)cyanoacetamide;AC-27036;C3217;LEFLUNOMIDE IMPURITY H [EP IMPURITY];TERIFLUNOMIDE METABOLITE (A813226);2-cyano-N-[4-(trifluomethyl)phenyl]-acetamide;2-cyano-n-[4-(trifluoromethyl) phenyl]acetamide;N-[4-(Trifluoromethyl)phenyl]-2-cyanoacetamide;SR-01000308182;SR-01000308182-1;Q27289661;2-[(2-CARBOMETHOXYPHENOXY)METHYL]-BENZIMIDAZOLE;P-ACETOTOLUIDIDE, 2-CYANO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-;LEFLUNOMIDE IMPURITY, 2-CYANO-ACETIC ACID-(4'-TRIFLUOROMETHYL)-ANILIDE- [USP IMPURITY]

Suppliers and Price of 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide

Supply Marketing:Edit

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

TRC
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide
10g
$ 360.00

TCI Chemical
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide >98.0%(GC)
1g
$ 159.00

TCI Chemical
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide >98.0%(GC)
5g
$ 477.00

Matrix Scientific
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide >95%
1g
$ 450.00

Matrix Scientific
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide >95%
500mg
$ 334.00

Crysdot
2-Cyano-N-(4-(trifluoromethyl)phenyl)acetamide 97%
10g
$ 234.00

ChemScene
Acetamide,2-cyano-N-[4-(trifluoromethyl)phenyl]- ≥98.0%
5g
$ 137.00

ChemScene
Acetamide,2-cyano-N-[4-(trifluoromethyl)phenyl]- ≥98.0%
10g
$ 224.00

Chemenu
2-Cyano-N-(4-(trifluoromethyl)phenyl)acetamide 95+%
10g
$ 221.00

Chemenu
2-Cyano-N-(4-(trifluoromethyl)phenyl)acetamide 95+%
5g
$ 147.00

Total 32 raw suppliers

Chemical Property of 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide Edit

Chemical Property:

Melting Point:145-147℃
Boiling Point:386.3±42.0 °C(Predicted)
PKA:4.63±0.10(Predicted)
PSA：52.89000
Density:1.375±0.06 g/cm3(Predicted)
LogP:2.63058
Storage Temp.:Sealed in dry,Room Temperature
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:228.05104734
Heavy Atom Count:16
Complexity:297

Purity/Quality:

99.9% ^*data from raw suppliers

2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(F)(F)F)NC(=O)CC#N
Uses 2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide (Leflunomide EP Impurity H) is used to prepare aminothiophene carboxylates and carboxamides as adenosine A1 receptor allosteric enhancers. It is also used to synthesize (1,2,3-triazol-4-yl)benzenamines as inhibitors against VEGF receptors 1 and 2.

Technology Process of 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide

There total 7 articles about 2-cyano-N-[4-(trifluoromethyl)phenyl]acetamide 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: 95.0%

: 455-14-1
4-trifluoromethylphenylamine

: 372-09-8
cyanoacetic acid

: 24522-30-3
2-cyano-N-(4-trifluoromethylphenyl)acetamide

Guidance literature:: cyanoacetic acid; With 4-methyl-morpholine; In tetrahydrofuran; at 0 - 10 ℃; for 1h; Industry scale;

4-trifluoromethylphenylamine; With isopropyl chloroformate; In tetrahydrofuran; at 0 - 10 ℃; for 2 - 3h; Product distribution / selectivity; Industry scale;