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1-(Benzyloxy)-4-bromo-2-fluorobenzene → (R)-4-(benzyloxy)-N-(2-(tert-butyldimethylsilyloxy)propyl)-3-fluoroaniline

HRID 334
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HRID 334 반응식
C[C@H](CN)O[Si](C)(C)C(C)(C)C.Fc1cc(Br)ccc1OCc1ccccc1>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]>C[C@H](CNc1ccc(OCc2ccccc2)c(F)c1)O[Si](C)(C)C(C)(C)C
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참가 물질

7

반응물 2

HCID 187574911-(Benzyloxy)-4-bromo-2-fluorobenzeneHCID 59302513(R)-2-(tert-butyldimethylsilyloxy)propan-1-amine

생성물 1

HCID 58464435(R)-4-(benzyloxy)-N-(2-(tert-butyldimethylsilyloxy)propyl)-3-fluoroaniline수율 64.8%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 4144353Palladium (II) acetate촉매
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl촉매
HCID 1140Toluene용매

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온도
120 °C

실험 절차

PdOAc2 (0.799 g, 3.56 mmol) and dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine (1.696 g, 3.56 mmol) were added in one portion to a degassed solution of 1-(benzyloxy)-4-bromo-2-fluorobenzene (10.00 g, 35.57 mmol), (R)-2-(tert- butyldimethylsilyloxy)propan-1-amine (8.08 g, 42.69 mmol) and cesium carbonate (17.39 g, 53.36 mmol) in toluene (150 mL) at 120°C under nitrogen. The resulting suspension was stirred at 120 °C for 16 hours. The reaction was incomplete so the reaction mixture was stirred for a further 24 hours at 120°C. The reaction mixture was diluted with EtOAc (150 mL) and water (150 mL). 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 filtered and dried over Na2SO4, filtered and evaporated to afford crude product. The crude product was evaporated and was purified by flash silica chromatography, elution gradient 0 to 20% EtOAc in isohexane. Pure fractions were evaporated to dryness to afford (R)-4-(benzyloxy)-N-(2-(tert-butyldimethylsilyloxy)propyl)-3-fluoroaniline (8.98 g, 64.8 %) as a orange oil.

출처 및 근거

ORD 기록
ord-611f7690ba1449b3a297ce2aee3500c7
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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