tert-Butyl piperazine-1-carboxylate → tert-Butyl 4-(6-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate

HRID 699

Reaction equation

HRID 699 reaction equation
CC(C)(C)OC(=O)N1CCNCC1.FC(F)(F)c1cccc(Cl)n1>CC(C)(C)[O-].Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)n2)CC1

Participants

7

Conditions

Temperature
105 °C

Procedure

A 2.0-5.0 mL microwave vial was charged with 2-chloro-6-(trifluoromethyl)pyridine (86 mg, 0.47 mmol), rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (29.5 mg, 0.05 mmol), Sodium tert-butoxide (54.6 mg, 0.57 mmol), tert-butyl piperazine-1-carboxylate (88 mg, 0.47 mmol) and a mixture of toluene (2.5 mL) and DMF (.5 mL). The reaction mixture was degassed for 10 minutes with nitrogen, and then Tris(dibenzylideneacetone)dipalladium(0) (21.69 mg, 0.02 mmol) was added. The reaction mixture was stirred at 105°C in an oil bath 12h. The solution was diluted with EtOAc and washed with saturated NaHCO3 solution, brine, dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The crude material was loaded on a 24g silica gel column and purified on a Teledyne Isco instrument, eluting with 0% to 100% ethyl acetate in heptane to provide tert-butyl 4-(6-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate (72.8 mg, 46.4 %) as a solid.

Sources & evidence

ORD record
ord-a2881fa75a3a4ea0adb4ff5901bc0b55
Source dataset
750 AstraZeneca ELN dataset
Original link
View source

Linked notes

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