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7-Bromo-1-benzofuran → Tert-butyl 4-(7-benzo[b]furanyl)piperazine-1-carboxylate

HRID 281
ノート
印刷プレビュー

反応式

HRID 281 の反応式
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
参加物反応条件実験手順出典と根拠反応ノート

参加物

7

反応物 2

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

生成物 1

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

試薬・触媒・溶媒 4

HCID 23676156Sodium t-butoxide試薬HCID 9811564Bis(dibenzylideneacetone)palladium触媒
HCID 11155794
2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
触媒
HCID 1140Toluene溶媒

反応条件

温度
100 °C

実験手順

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%.

出典と根拠

ORDレコード
ord-bfb17eeff42440ec958bdd65e83b7c45
出典データセット
750 AstraZeneca ELN dataset
元リンク
出典を表示

反応ノート

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