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1-(Benzyloxy)-4-bromo-2-methoxybenzene → (3R)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylpiperazine

HRID 209
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HRID 209 반응식
COc1cc(Br)ccc1OCc1ccccc1.C[C@@H]1CNCCN1C(=O)OC(C)(C)C>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>COc1cc(N2CCN[C@H](C)C2)ccc1OCc1ccccc1
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7

반응물 2

HCID 36131281-(Benzyloxy)-4-bromo-2-methoxybenzeneHCID 10262201tert-Butyl (2R)-2-methylpiperazine-1-carboxylate

생성물 1

HCID 70278960(3R)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylpiperazine수율 40.26%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 634876Binap, (A+-)-촉매
HCID 9811564
Bis(dibenzylideneacetone)palladium
촉매
HCID 1140Toluene용매

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온도
80 °C

실험 절차

To (R)-tert-butyl 2-methylpiperazine-1-carboxylate (0.717 g, 3.58 mmol), TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0) (0.094 g, 0.10 mmol) and 2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (0.085 g, 0.14 mmol) and Sodium tert-butoxide (0.459 g, 4.78 mmol) was added a solution of 1-(benzyloxy)-4-bromo-2-methoxybenzene (1 g, 3.41 mmol) in Toluene (25 mL). The reaction was heated to 80 °C for 18 hours. the reaction was allowed to cool to room temperature and diluted with dcm (50 ml). This was washed with water (2 x 50 ml), dried over sodium sulfate, filtered and the solvent removed under reduced pressure. The crude product was dissolved in hydrochloric acid solution in methanol (4N, 20 ml) and stirred at room temprature overnight. The solvent was removed under reduced pressure.The crude product was purified by ion exchange chromatography, using an SCX column. The desired product was eluted from the column using 7M NH3/MeOH and pure fractions were evaporated to dryness to afford (R)-1-(4-(benzyloxy)-3-methoxyphenyl)-3-methylpiperazine (0.429 g, 40.3 %) as a yellow gum.

출처 및 근거

ORD 기록
ord-80551a125bb34e24a0d215f47bcdf5d9
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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