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3-Bromopyridine → tert-butyl (3R)-3-methyl-4-pyridin-3-ylpiperazine-1-carboxylate

HRID 513
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HRID 513 반응식
Brc1cccnc1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1>CC(=O)O.CC(=O)O.CC(C)(C)[O-].CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1ccccc1.[Na+].[Pd]>C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccnc1
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참가 물질

7

반응물 2

HCID 122863-BromopyridineHCID 2756811(R)-1-Boc-3-methylpiperazine

생성물 1

HCID 89555981tert-butyl (3R)-3-methyl-4-pyridin-3-ylpiperazine-1-carboxylate수율 102.97%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 4144353Palladium (II) acetate촉매
HCID 16217985
2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl
촉매
HCID 1140Toluene용매

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온도
100 °C

실험 절차

_Repeat of reaction EN05798-78_ Diacetoxypalladium (0.112 g, 0.50 mmol) and dicyclohexyl(2',6'-diisopropoxybiphenyl-2-yl)phosphine (0.466 g, 1.00 mmol) were dissolved in toluene (15 mL) at ambient temperature under nitrogen. The mixture was degassed and purged with nitrogen several times and heated to 50°C for 20 mins. In a separate vessel, were mixed 3-bromopyridine (0.789 g, 4.99 mmol), sodium 2-methylpropan-2-olate (0.720 g, 7.49 mmol), (R)-tert-butyl 3-methylpiperazine-1-carboxylate (1g, 4.99 mmol) and toluene (10 mL). The mixture was degassed and purged with nitrogen several times. The catalyst mixture was added to the reaction vessel and the resulting mixture was degassed and purged with nitrogen, and heated at 100 °C under nitrogen overnight. The reaction mixture was filtered through celite, washing with EtOAc/MeOH. The filtrate was concentrated and the residue purified by flash silica chromatography, elution gradient 20 to 100% EtOAc in heptane. Pure fractions were evaporated to dryness to afford (R)-tert-butyl 3-methyl-4-(pyridin-3-yl)piperazine-1-carboxylate (1.426 g, 103 %) as a pale orange gum. [Rf ~ 0.1 in 1:1 EtOAc/hept] Note: Trace Ruphos contaminating product

출처 및 근거

ORD 기록
ord-b33a6a5e9f314a52b92d41be195f749c
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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