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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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7-Bromo-1-benzofuran → Tert-butyl 4-(7-benzo[b]furanyl)piperazine-1-carboxylate

HRID 281
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HRID 281 반응식
Brc1cccc2ccoc12.CC(C)(C)OC(=O)N1CCNCC1>CC(C)(C)[O-].CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.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]>CC(C)(C)OC(=O)N1CCN(c2cccc3ccoc23)CC1
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참가 물질

7

반응물 2

HCID 1136287-Bromo-1-benzofuranHCID 143452tert-Butyl piperazine-1-carboxylate

생성물 1

HCID 23300012Tert-butyl 4-(7-benzo[b]furanyl)piperazine-1-carboxylate수율 72.98%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 9811564Bis(dibenzylideneacetone)palladium촉매
HCID 11155794
2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
촉매
HCID 1140Toluene용매

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온도
100 °C

실험 절차

7-bromobenzofuran (500 mg, 2.54 mmol), tert-Butyl 1-piperazinecarboxylate (473 mg, 2.54 mmol), Tris(dibenzylideneacetone)dipalladium(0) (116 mg, 0.13 mmol), 2-Dicyclohexylphosphino-2',4',6'-tri-iso-propyl-1,1'-biphenyl (121 mg, 0.25 mmol) and sodium t-butoxide (0.464 mL, 5.33 mmol) were heated in toluene (2 mL) to 100 °C for 2h. The mixture was allowed to cool. Ethylacetate was added and the mixture was filtered through Celite. The filtrate was concentrated and redissolved in ethylacetate. The organic mixture was washed with satd. aqueous Na2CO3 and brine. The organic phase was separated, dried over Na2CO3, filtered and the solvent removed by rotary evaporation. The crude product was added to a silica gel column and was eluted with 0-2% MeOH in DCM and to a second silica gel column eluted with 0-100% EtOAc in heptane. The collected fractions were combined to yield tert-butyl 4-(benzofuran-7-yl)piperazine-1-carboxylate (560 mg, 73.0 %). 1H NMR in CD3OD is consistent with desired product MS (m+1) = 303.1. HPLC Peak RT = 5.99 minutes is product. Purity = 98%.

출처 및 근거

ORD 기록
ord-bfb17eeff42440ec958bdd65e83b7c45
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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