5-Bromo-2-methoxybenzonitrile → (R)-5-(2-(tert-butyldimethylsilyloxy)propylamino)-2-methoxybenzonitrile

HRID 306

Reaction equation

HRID 306 reaction equation
COc1ccc(Br)cc1C#N.C[C@H](CN)O[Si](C)(C)C(C)(C)C>CC(=O)O.CC(=O)O.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.Cc1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd]>COc1ccc(NC[C@@H](C)O[Si](C)(C)C(C)(C)C)cc1C#N

Participants

7

Conditions

Temperature
120 °C

Procedure

PdOAc2 (0.529 g, 2.36 mmol) and dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine (1.124 g, 2.36 mmol) were added in one portion to a degassed solution of 5-bromo-2-methoxybenzonitrile (5 g, 23.58 mmol), (R)-2-(tert- butyldimethylsilyloxy)propan-1-amine (5.36 g, 28.30 mmol) and cesium carbonate (11.52 g, 35.37 mmol) in toluene (100 mL) at 20°C under nitrogen. The resulting suspension was stirred at 120 °C for 50 hours. The reaction mixture was diluted with EtOAc (150 mL) and water (150 mL) and the biphasic mixture was filtered through celite. The organic layer was separated and washed sequentially with water (150 mL) and saturated brine (150 mL). The organic layer was evaporated to afford crude product. The crude product was purified by flash silica chromatography, elution gradient 0 to 20% EtOAc in isohexane. Pure fractions were evaporated to dryness to afford (R)-5-(2-(tert- butyldimethylsilyloxy)propylamino)-2-methoxybenzonitrile (3.60 g, 47.6 %) as a pale yellow oil.

Sources & evidence

ORD record
ord-3a15989581314d86a106f9d713384402
Source dataset
750 AstraZeneca ELN dataset
Original link
View source

Linked notes

Loading…