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2-Chloroquinoline → tert-Butyl 4-(quinolin-2-yl)piperazine-1-carboxylate

HRID 724
ノート
印刷プレビュー

反応式

HRID 724 の反応式
CC(C)(C)OC(=O)N1CCNCC1.Clc1ccc2ccccc2n1>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>CC(C)(C)OC(=O)N1CCN(c2ccc3ccccc3n2)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 119282-ChloroquinolineHCID 143452tert-Butyl piperazine-1-carboxylate

生成物 1

HCID 16117834tert-Butyl 4-(quinolin-2-yl)piperazine-1-carboxylate収率 46.36%

試薬・触媒・溶媒 4

HCID 23676156Sodium t-butoxide試薬HCID 634876Binap, (A+-)-触媒
HCID 9811564
Bis(dibenzylideneacetone)palladium
触媒
HCID 1140Toluene溶媒

反応条件

温度
100 °C

実験手順

A 2.0-5.0 mL microwave vial was charged with tert-Butyl 1-piperazinecarboxylate (100 mg, 0.54 mmol), 2-Chloroquinoline (0.086 mL, 0.64 mmol), Sodium tert-butoxide (61.9 mg, 0.64 mmol), rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (33.4 mg, 0.05 mmol) and toluene (3 mL). The reaction mixture was degassed for 10 minutes with nitrogen, and then Tris(dibenzylideneacetone)dipalladium(0) (24.58 mg, 0.03 mmol) was added. The reaction mixture was stirred at 100°C in an oil bath for 12h. The solution was diluted with EtOAc and washed with saturated NaHCO3, brine, dried over sodium sulfate, filtered and concentrated under reduced pressure. The crude material was loaded on a 40g silica gel column and purified on a Teledyne Isco instrument, eluting with 10% to 40% ethyl acetate in heptane. Product not pure. Product was repurifed using a 40g Gold column with same eluent to provide tert-butyl 4-(quinolin-2-yl)piperazine-1-carboxylate (78 mg, 46.4 %) as a solid. MS m/z 314.3 [M+H]+ (ESI)

出典と根拠

ORDレコード
ord-70ea34f4ab314aa093c5c77488bf98e8
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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