736990-96-8|4-Morpholino-2-(trifluoromethyl)benzaldehyde| Ambeed

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CAS No. :	736990-96-8
Formula :	C₁₂H₁₂F₃NO₂
M.W :	259.22
SMILES Code :	O=CC1=CC=C(N2CCOCC2)C=C1C(F)(F)F
MDL No. :	MFCD23699150

Yield	Reaction Conditions	Operation in experiment
75%	With potassium carbonate; In acetonitrile; at 80℃;Inert atmosphere;	A 250-mL round-bottom flask was charged acetonitrile (100 mL), morpholine (4.50 g, 51.7 mmol, 1.00 equiv), <strong>[90176-80-0]4-fluoro-2-(trifluoromethyl)benzaldehyde</strong> (10.0 mg, 51.7 mmol, 1.00 equiv) and potassium carbonate (14.0 g, 101 mmol, 2.00 equiv) under nitrogen. The resulting solution was stirred overnight at 80 C and quenched by water (150 mL). The mixture was extracted with DCM (3 x 50 mL) and the organic layers were combined, washed with water (3 x 50 mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was chromatographed on a silica gel column to provide 10.0 g (75% yield) of 4- morpholino-2-(trifluoromethyl)benzaldehyde as a yellow solid. LCMS (ESI, m/z): 260 [M+H]+.
75%	With potassium carbonate; In acetonitrile; at 80℃;Inert atmosphere;	A flask was charged ACN (100 mL), morpholine (4.50 g, 51.7 mmol, 1.00 equiv), 4- fluoro-2-(trifluoromethyl)benzaldehyde (10.0 g, 51.7 mmol, 1.00 equiv) and potassium carbonate (14.0 g, 101 mmol, 2.00 equiv) under nitrogen. The resulting solution was stirred overnight at 80 C and quenched with water (150 mL). The mixture was extracted with DCM (3 x 50 mL) and the organic layers were combined, washed with water (3 x 50 mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was chromatographed on a silica gel column to provide 10.0 g (75% yield) of 4-morpholino-2-(trifluoromethyl)benzaldehyde as a yellow solid. LCMS (ESI, m/z): 260 [M+H]+.
74%	With potassium carbonate; In dimethyl sulfoxide; at 100℃;	A 100 mL round-bottom flask was charged with 4-fluoro-2- (trifluoromethyl)benzaldehyde (1.00 g, 5.21 mmol, 1.00 equiv), morpholine (0.500 g, 5.74 mmol, 1.10 equiv), potassium carbonate (1.40 g, 10.1 mmol, 2.00 equiv), DMSO (15 mL). The resulting solution was stirred overnight at 100 C, diluted with H20 (10 mL), extracted with ethyl acetate (3 x 10 mL). The organic layers were combined and washed with brine (1 x 50 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was chromatographed on a silica gel column with ethyl acetate/petroleum ether (25/75)to provide 1.00 g (74% yield) of 4-(morpholin-4-yl)-2-(trifluoromethyl)benzaldehyde as a yellow solid. LCMS (ESI, m/z): 260 [M+H]+.

74%	With potassium carbonate; In dimethyl sulfoxide; at 100℃;	Step 1: Preparation of 4-(morpholin-4-yl)-2-(trifluoromethyl)benzaldehyde [00220] A 100-mL round-bottom flask was charged with 4-fluoro-2- (trifluoromethyl)benzaldehyde (1.00 g, 5.21 mmol, 1.00 equiv), morpholine (0.500 g, 5.74 mmol, 1.10 equiv), potassium carbonate (1.40 g, 10.1 mmol, 2.00 equiv), and DMSO (15 mL). The resulting solution was stirred overnight at 100 C, diluted with H20 (10 mL), and extracted with ethyl acetate (3 x 10 mL). The organic layers were combined and washed with brine (1 x 50 mL), dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The residue was chromatographed on a silica gel column with ethyl acetate/petroleum ether (25/75) to provide 1.00 g (74% yield) of 4-(morpholin-4-yl)-2-(trifluoromethyl)benzaldehyde as a yellow solid. LCMS (ESI, m/z): 260 [M+H]+.
50%	With potassium carbonate; In dimethyl sulfoxide; at 100℃; for 4h;	Example 24. Synthesis of 2-(4-morpholino-2-(trifluoromethyl)phenyl)-N-(thiazol-2- yl)-[l,2,4]triazolo[l,5-a]pyridine-8-carboxamide (Compound 219): Step 1) Preparation of4-morpholino-2-(trifluoromethyl)benzaldehyde (99): 4-Fluoro-2-(trifluoromethyl)benzaldehyde (98; 3.85 g, 20.1mmmol), morpholine (1.9 g, 22.1 mmol) and K2CO3 (5.5 g, 40.2 mmol) was taken up in 50 mL of DMSO. The reaction mixture was stirred at 100 0C for 4 h. Upon cooling to room temperature, the reaction mixture was diluted with water (200 mL). The resulting solids were collected by filtration and dried under reduced pressure to afford 4-morpholino-2- (trifluoromethyl)benzaldehyde 99 (1.2 g, 50%).

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CAS No.: 736990-96-8

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CAS No.: 736990-96-8

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