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tert-Butyl piperazine-1-carboxylate → Tert-butyl 4-(2-methylpyridin-3-yl)piperazine-1-carboxylate

HRID 433
ノート
印刷プレビュー

反応式

HRID 433 の反応式
CC(C)(C)OC(=O)N1CCNCC1.Cc1ncccc1Br>CC(=O)O.CC(=O)O.CC(C)(C)[O-].CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1ccccc1.[Na+].[Pd]>Cc1ncccc1N1CCN(C(=O)OC(C)(C)C)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 143452tert-Butyl piperazine-1-carboxylateHCID 12010033-Bromo-2-methylpyridine

生成物 1

HCID 68106327Tert-butyl 4-(2-methylpyridin-3-yl)piperazine-1-carboxylate収率 82.86%

試薬・触媒・溶媒 4

HCID 23676156Sodium t-butoxide試薬HCID 4144353Palladium (II) acetate触媒
HCID 16217985
2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
触媒
HCID 1140Toluene溶媒

反応条件

温度
100 °C

実験手順

RuPhos (0.543 g, 1.16 mmol) and palladium (II) acetate (0.131 g, 0.58 mmol) were suspended in toluene (15 mL) at ambient temperature. The resulting mixture was degassed and purged several times and warmed to 50°C under nitrogen for 20 mins. In a separate vessel were mixed 3-bromo-2-methylpyridine (2 g, 11.63 mmol), tert-butyl 4-(2-methylpyridin-3-yl)piperazine-1-carboxylate (2.67 g, 83 %), sodium tertbutoxide (1.676 g, 17.44 mmol) and toluene. The mixture was degassed and purged with nitrogen several times and warmed to 50°C. The catalyst solution was added to the reaction vessel and the resulting mixture degassed and purged wtih nitrogen. The reaction was heated at 100°C overnight. The reaction mixture was allowed to cool to ambient temperature and filtered through GF/F paper, washing with MeOH. The filtrate was concentrated to provide the crude material. This was purified by flash silica chromatography, elution gradient 20 to 70% EtOAc in heptane. Pure fractions were evaporated to dryness to afford tert-butyl 4-(2-methylpyridin-3-yl)piperazine-1-carboxylate (2.67 g, 83 %) as a pale yellow oil.

出典と根拠

ORDレコード
ord-4147e405915e4ea7b4607546c536b535
出典データセット
750 AstraZeneca ELN dataset
元リンク
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反応ノート

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