Benzonitrile, 4-amino-3-methyl-2-(trifluoromethyl)- (9CI) synthesis
- Product Name:Benzonitrile, 4-amino-3-methyl-2-(trifluoromethyl)- (9CI)
- CAS Number:573764-86-0
- Molecular formula:C9H7F3N2
- Molecular Weight:200.16
573764-81-5
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573764-86-0
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Yield:573764-86-0 90%
Reaction Conditions:
with hydrogenchloride;ethanol at 80; for 12 h;
Steps:
3.4; 4.4
4-amino-3-methyl-2-(trifluoromethyl) benzonitrile; N-(4-cyano-2-methyl-3-(trifluoromethyl) phenyl) pivalamide (3d) (1.5 g,5.28 mmol) was taken in EtOH/HCl (30 mL, 1 : 1) and heated to 80°C for 12 h. The reaction was slowly brought to room temperature and poured into ice cold water (30 mL) during which white solid precipitated which was filtered. The solid was washed with hexane (3 x 20 mL) and dried under vacuum to provide the amine 3e (0.9 g,90%) as a white solid. TLC: 40% EtOAc/Hexane (Rf: 0.3)1H NMR (200MHz, DMS0-< δ in ppm): 7.51 (d, J= 8.2 Hz, 1H), 6.91 (d, J= 8.6 Hz, 1H), 6.45 (br s, 2H), 2.15-2.12 (m, 3H).Mass (ESI): 198.9 [M+-]
References:
WO2012/47617,2012,A1 Location in patent:Page/Page column 38-39