3'-Trifluoromethylisobutyranilide

Base Information

Chemical Name:3'-Trifluoromethylisobutyranilide
CAS No.:1939-27-1
Molecular Formula:C11H12F3NO
Molecular Weight:231.218
Hs Code.:
European Community (EC) Number:406-740-4
UNII:V3NS36X991
DSSTox Substance ID:DTXSID5057674
Nikkaji Number:J2.318.247E
Wikidata:Q27291497
ChEMBL ID:CHEMBL3561475
Mol file:1939-27-1.mol

Synonyms:1939-27-1;3'-Trifluoromethylisobutyranilide;N-(3-(Trifluoromethyl)phenyl)isobutyramide;2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide;3-Trifluoromethylisobutyranilide;3'-Trifluoromethyl-iso-butyranilide;2-METHYL-N-(3-TRIFLUOROMETHYLPHENYL) PROPANAMIDE;UNII-V3NS36X991;DTXSID5057674;2-Methyl-N-(3-trifluoromethyl)phenyl)propanamide;V3NS36X991;EC 406-740-4;N-[3-(Trifluoromethyl)phenyl]isobutyramide;2-METHYL-N-(3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE;SCHEMBL5561958;m-trifluoromethyl isobutyranilide;CHEMBL3561475;DTXCID6031463;3'-trifluoromethyl-isobutyranilide;HMS1577F02;Tox21_113916;MFCD00043455;STK158544;AKOS002981692;NCGC00262920-01;DS-13211;CAS-1939-27-1;FLUTAMIDE IMPURITY E [EP IMPURITY];CS-0154971;FT-0616421;C73690;A813678;SR-01000196576;SR-01000196576-1;2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide #;Q27291497;PROPANAMIDE, 2-METHYL-N-(3-(TRIFLUOROMETHYL)PHENYL)-;M-PROPIONOTOLUIDIDE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-METHYL-

Suppliers and Price of 3'-Trifluoromethylisobutyranilide

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

TRC
2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide
2.5g
$ 180.00

Medical Isotopes, Inc.
2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide
25 g
$ 2200.00

Matrix Scientific
3'-Trifluoromethyl-iso-butyranilide
1g
$ 100.00

Crysdot
N-(3-(Trifluoromethyl)phenyl)isobutyramide 97%
10g
$ 545.00

Crysdot
N-(3-(Trifluoromethyl)phenyl)isobutyramide 97%
5g
$ 307.00

Crysdot
N-(3-(Trifluoromethyl)phenyl)isobutyramide 97%
25g
$ 1070.00

American Custom Chemicals Corporation
3'-TRIFLUOROMETHYL-ISO-BUTYRANILIDE 95.00%
1G
$ 673.08

Ambeed
N-(3-(Trifluoromethyl)phenyl)isobutyramide 97%
5g
$ 155.00

Ambeed
N-(3-(Trifluoromethyl)phenyl)isobutyramide 97%
1g
$ 45.00

Ambeed
N-(3-(Trifluoromethyl)phenyl)isobutyramide 97%
250mg
$ 23.00

Total 34 raw suppliers

Chemical Property of 3'-Trifluoromethylisobutyranilide

Chemical Property:

Appearance/Colour:White crystalline
Vapor Pressure:0.000493mmHg at 25°C
Melting Point:100-101 °C
Refractive Index:1.489
Boiling Point:313.5 °C at 760 mmHg
PKA:14.33±0.70(Predicted)
Flash Point:143.4 °C
PSA：29.10000
Density:1.22 g/cm³
LogP:3.37290
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:231.08709849
Heavy Atom Count:16
Complexity:250

Purity/Quality:

99%, ^*data from raw suppliers

2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn; N
Hazard Codes:Xn,N
Statements: 48/22-51/53
Safety Statements: 22-36-61

MSDS Files:

Useful:

Canonical SMILES:CC(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
Uses 2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide is used as a reagent to synthesize Flutamide (F598850), an oral nonsteroidal antiandrogen that is hepatotoxic and commonly used to treat patients with prostate cancer.

Technology Process of 3'-Trifluoromethylisobutyranilide

There total 9 articles about 3'-Trifluoromethylisobutyranilide 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%

: 98-46-4
3-trifluoromethylnitrobenzene

: 79-31-2
isobutyric Acid

: 1939-27-1
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide

Guidance literature:: With sodium sulfite; for 16h; Reflux;
DOI:10.1246/cl.140454

Reference yield: 60.0%

: 563-83-7
ISOPROPYLAMIDE

: 401-81-0
m-trifluoromethylphenyl iodide

: 1939-27-1
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide

Guidance literature:: With cobalt(II) oxalate dihydrate; caesium carbonate; N,N`-dimethylethylenediamine; In water; at 130 ℃; for 24h; Green chemistry;
DOI:10.1055/s-0034-1380724