Benzene, 1-bromo-3-(trifluoromethyl)- → Tert-butyl 5-[3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

HRID 661

反応式

HRID 661 の反応式
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2.FC(F)(F)c1cccc(Br)c1>C1COCCO1.CC(C)(C)[O-].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)N1CC2CC1CN2c1cccc(C(F)(F)F)c1

参加物

7

反応条件

温度
150 °C

実験手順

A 50 ml round bottom equipped with stir bar was charged with binap (0.219 g, 0.34 mmol) and TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (0.132 g, 0.14 mmol) dissolved in dioxane (6 mL). This was degassed and purged with nitrogen and stirred at RT for 10 mins. 1-bromo-3-(trifluoromethyl)benzene (0.301 mL, 2.16 mmol) followed by tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (0.3 g, 1.44 mmol) and SODIUM TERT-BUTOXIDE (0.570 g, 5.75 mmol) were added, and the reaction was stirred at 180 °C for 5 min (see notes). The solution was filtered trough celite, diluted with EtOAc and washed with saturated NaHCO3 solution. The aqueous phase was extracted with EtOAc (3X20mL), combined, dried over anhydrous MgSO4, filtered and concentrated under reduced pressure. The crude material was loaded on a Snap KP-SIL 25g column and purified on a Biotage SP4 instrument, eluting with 10% to 35% ethyl acetate in heptane to provide tert-butyl 5-(3-(trifluoromethyl)phenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate (0.489 g, 99 %) as an oil.

出典と根拠

ORDレコード
ord-4b267760e4484094b4eaffe00a0fdfde
出典データセット
750 AstraZeneca ELN dataset
元リンク
出典を表示

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