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Piperidine → 2-Fluoro-4-piperidin-1-ylbenzonitrile

HRID 110
ノート
印刷プレビュー

反応式

HRID 110 の反応式
C1CCNCC1.N#Cc1ccc(Br)cc1F>CC(=O)O.CC(=O)O.CC(C)(C)[O-].CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.Cc1ccccc1.[Na+].[Pd]>N#Cc1ccc(N2CCCCC2)cc1F
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 8082PiperidineHCID 7360294-Bromo-2-fluorobenzonitrile

生成物 1

HCID 794218452-Fluoro-4-piperidin-1-ylbenzonitrile収率 49.37%

試薬・触媒・溶媒 4

HCID 23676156Sodium t-butoxide試薬HCID 4144353Palladium (II) acetate触媒
HCID 11155794
2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
触媒
HCID 1140Toluene溶媒

反応条件

温度
160 °C

実験手順

4-bromo-2-fluorobenzonitrile (119 mg, 0.59 mmol), Piperidine (0.059 mL, 0.59 mmol), Palladium(II) acetate (6.68 mg, 0.03 mmol), dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine (14.18 mg, 0.03 mmol) and sodium tert-butoxide (57.2 mg, 0.59 mmol) were suspended in toluene (4 mL) and tBuOH (0.800 mL) and heated to 160°C for 10 minutes in the microwave. LCMS indicated incomplete reaction, thus, the reaction mixture was heated to 160°C for a further 20 minutes. Still incomplete reaction however, the reaction mixture was diluted with EtOAc (10 mL), and washed sequentially with water (10 mL), and saturated brine (10 mL). The organic layer was dried over MgSO4, filtered and evaporated to afford crude product. The crude product was purified by flash silica chromatography, elution gradient 0 to 100% EtOAc in isohexane. A yellow oil (60mg) was isolated but NMR revealed this not be the desired product. No further work done.

出典と根拠

ORDレコード
ord-2e557d69002c4320a9c5c7d56e530a90
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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