ChemicalBook CAS DataBase List 3-(2',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE

3-(2',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE synthesis

3synthesis methods

Product Name:3-(2',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE
CAS Number:71682-95-6
Molecular formula:C9H5F2NO
Molecular Weight:181.14

102429-07-2 Synthesis

102429-07-2
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$19.00/1g

143-33-9 Synthesis

143-33-9
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$10.00/1g

3-(2',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE

71682-95-6
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Yield: 72%

Reaction Conditions:

in ethanol;water at 5; for 1 h;

Steps:

41A
Example 41A; 3- (2, 4-Difluorophenyl)-3-oxopropanenitrile; 35.0 g (715 mmol) sodium cyanide are dissolved in 180 ml water and cooled to 5°C. At this temperature, 60.0 g (255 mmol) 2-bromo-l- (2, 4-difluorophenyl) ethanone (Example 40A) as a solution in 450 ml ethanol is added. The reaction mixture is stirred for a further hour. 450 ml water are added, followed after 10 min. by 20 g silica. The mixture is filtered over silica, acidified with sulfuric acid to pH 2-3, filtered again and washed with ethanol/water (1: 1). After extraction with DCM, the solvent is removed and the residue is purified by chromatography (eluent: DCM/ methanol 95: 5) to yield 33.5 g (72% of th.) of the title compound. MS (DCI): m/z = 199 (M+NH4) + 'H-NMR (200 MHz, CDC13) : 8 = 4.06 (s, 2H), 6.95 (mc, 1H), 7.06 (mc, 1H), 8.05 (mc, 1H).

References:

BAYER AKTIENGESELLSCHAFT WO2003/76405, 2003, A1 Location in patent:Page/Page column 72

773837-37-9 Synthesis