1189746-38-0|2-Bromo-6-(2-fluoropropan-2-yl)pyridine| Ambeed

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CAS No. :	1189746-38-0
Formula :	C₈H₉BrFN
M.W :	218.07
SMILES Code :	CC(C1=CC=CC(Br)=N1)(F)C

Yield	Reaction Conditions	Operation in experiment
71%	With (bis-(2-methoxyethyl)amino)sulfur trufluoride; In dichloromethane; at -78 - 20℃;	Preparation 32 Synthesis of 2-bromo-6-(1-fluoro-1-methyl-ethyl)-pyridine Add (bis(2-methoxyethyl)amino)sulfur trifluoride (2.05 mL, 11.11 mmol) dropwise to a cooled solution of <strong>[638218-78-7]2-(6-bromo-pyridin-2-yl)-propan-2-ol</strong> (2 g, 9.26 mmol) in dichloromethane (46.3 mL) at -78 C. Upon addition, warm to room temperature and stir overnight. Add a saturated aqueous solution of sodium bicarbonate and stir until gas evolution stops. Filter through a 50 mL hydrophobic IST Phase Separator Frit, concentrate and purify by silica gel chromatography, gradient eluding from 3:97 to 5:95 and then to 10:90 using dichloromethane:iso-hexane to give the title compound as a colorless liquid (5.13 g, 71%). 1H NMR (CDCl3) delta 1.66 (s, 3H), 1.73 (s, 3H), 7.37 (dd, 2H), 7.53 (m, 2H). 19F NMR (CDCl3) delta-143.37 (s, 1F).
70.43%	With diethylamino-sulfur trifluoride; In dichloromethane; at -78 - 20℃; for 12h;	Step)-1: Synthesis of 2-bromo-6-(2-fluoropropan-2-yl)pyridine To a stirred solution of 2-(6-bromo-pyridine-2-yl)-propane-2-ol (0.500 g, 2.313 mmol, 1.0 eq) in DCM (10 mL), DAST (0.36 mL, 2.545 mmol, 1.1 eq) was added at -78 C. The reaction mixture was stirred at rt for 12 h. After completion of reaction, the reaction mixture was quenched with saturated sodium bicarbonate solution and was extracted with EtOAc (50 mL*2). The combined organic layer was washed with water (50 mL), brine solution (50 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to afford crude product, which was purified by flash chromatography [silica gel 100-200 mesh; elution 0-10% EtOAc in hexane] to afford the desired compound, tert-butyl 6-((2-cyclopropyl-1-(6-(2-fluoropropan-2-yl)pyridin-2-yl)-3-oxo-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-3,4-dihydroisoquinoline-2(1H)-carboxylate (355 mg, 70.43%) as colorless liquid. LCMS: 217.99 [M+1]+
33.69%	With diethylamino-sulfur trifluoride; In dichloromethane; at -78 - 20℃;Inert atmosphere;	Into a lOO-mL 3-necked round-bottom flask purged and maintained with an inert atmosphere of nitrogen, was placed <strong>[638218-78-7]2-(6-bromopyridin-2-yl)propan-2-ol</strong> (500.00 mg, 2.3l4mmol, l.OOequiv), DCM (20.00 mL). This was followed by the addition of DAST (1118.96 mg, 6.942mmol, 3.00equiv) dropwise with stirring at -78 degrees C .The resulting solution was stirred for overnight at room temperature. The reaction was then quenched by the addition of 20 mL of NaHC03 (5mol/L). The resulting solution was extracted with 3x20 mL of dichloromethane concentrated under vacuum. The residue was applied onto a silica gel column and eluted with ethyl (0330) acetate/petroleum ether (1:20). The collected fractions were combined and concentrated. This resulted in 170 mg (33.69%) of 2-bromo-6-(2-fluoropropan-2-yl)pyridine as light yellow oil. LC-MS-l (ES, m/z): 218[M+1] +

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H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 1189746-38-0

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CAS No.: 1189746-38-0

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