3-trifluoromethylnitrobenzene
isobutyric Acid
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide
Conditions | Yield |
---|---|
With sodium sulfite for 16h; Reflux; | 95% |
With iron for 4h; Reflux; Inert atmosphere; | 81% |
ISOPROPYLAMIDE
m-trifluoromethylphenyl iodide
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide
Conditions | Yield |
---|---|
With cobalt(II) oxalate dihydrate; caesium carbonate; N,N`-dimethylethylenediamine In water at 130℃; for 24h; Green chemistry; | 60% |
3-trifluoromethylaniline
isobutyric Acid
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide
Conditions | Yield |
---|---|
Stage #1: isobutyric Acid With 4-methyl-morpholine; 1,3,5-trichloro-2,4,6-triazine In dichloromethane at 0 - 5℃; for 5h; Stage #2: 3-trifluoromethylaniline In dichloromethane at 20℃; for 3h; | 20.0 g |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 3 h / 20 °C 2: iron / 4 h / Reflux; Inert atmosphere View Scheme |
Flutamide
isopropyl alcohol
A
2,3-dimethyl-2,3-butane diol
B
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide
Conditions | Yield |
---|---|
Irradiation; High pressure; |
Flutamide
isopropyl alcohol
A
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide
C
2-methyl-N-[4-amino-3-(trifluoromethyl)phenyl]propanamide
Conditions | Yield |
---|---|
With oxygen Irradiation; High pressure; |
Flutamide
A
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide
B
2-methyl-N-[4-amino-3-(trifluoromethyl)phenyl]propanamide
Conditions | Yield |
---|---|
With oxygen In acetonitrile Irradiation; High pressure; |
2-Methylpropionic anhydride
3-trifluoromethylaniline
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide
Conditions | Yield |
---|---|
Stage #1: 2-Methylpropionic anhydride; 3-trifluoromethylaniline In hexane at 45℃; for 1.5h; Stage #2: With sodium hydroxide In hexane; water at 50 - 70℃; for 0.25h; |
2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide
Flutamide
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid at -5℃; for 3h; | 83.3% |
With sulfuric acid; nitric acid at 0 - 5℃; for 3h; | 79% |
With 3-(ethoxycarbonyl)-1-(5-methyl-5-(nitrosooxy)hexyl)pyridin-1-ium bis(trifluoromethanesulfonyl)imide at 20℃; for 5h; Ionic liquid; | 69% |
The cas register number of 3'-Trifluoromethylisobutyranilide is 1939-27-1. It also can be called as 2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide and the IUPAC Name about this chemical is 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
Physical properties about 3'-Trifluoromethylisobutyranilide are: (1)ACD/LogP: 3.08; (2)ACD/LogD (pH 5.5): 3.08; (3)ACD/LogD (pH 7.4): 3.08; (4)ACD/BCF (pH 5.5): 128.78; (5)ACD/BCF (pH 7.4): 128.78; (6)ACD/KOC (pH 5.5): 1126.77; (7)ACD/KOC (pH 7.4): 1126.77; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 54.72 cm3; (14)Molar Volume: 189.4 cm3; (15)Polarizability: 21.69x10-24cm3; (16)Surface Tension: 30.5 dyne/cm; (17)Enthalpy of Vaporization: 55.46 kJ/mol; (18)Vapour Pressure: 0.000493 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and it is also harmful: danger of serious damage to health by prolonged exposure if swallowed. When you are using it, wear suitable protective clothing and not breathe dust. You need avoid release to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
(2)InChI: InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
(3)InChIKey: GETMKVRSDFVVHL-UHFFFAOYSA-N
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