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3-Bromoanisole → 1-(3-Methoxyphenyl)piperidine-4-carbonitrile

HRID 295
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HRID 295 반응식
COc1cccc(Br)c1.N#CC1CCNCC1>CC(=O)O.CC(=O)O.CC(C)CN1CCN2CCN(CC(C)C)P1N(CC(C)C)CC2.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccccc1.[Li+].[Pd]>COc1cccc(N2CCC(C#N)CC2)c1
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참가 물질

7

반응물 2

HCID 169713-BromoanisoleHCID 1382234-Cyanopiperidine

생성물 1

HCID 1170033531-(3-Methoxyphenyl)piperidine-4-carbonitrile수율 28.45%

시약·촉매·용매 4

HCID 2733832Lithium hexamethyldisilazane시약HCID 4144353Palladium (II) acetate촉매
HCID 4571243
2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecane
촉매
HCID 1140Toluene용매

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온도
100 °C

실험 절차

Reaction carried out by , work up and purification on this page. piperidine-4-carbonitrile (7.07 g, 64.16 mmol); 1-bromo-3-methoxybenzene (6.77 mL, 53.47 mmol) and diacetoxypalladium (2.401 g, 10.69 mmol) were thoroughly placed under an inert atmoshere. To this was added 2,8,9-triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane (0.732 g, 2.14 mmol); LITHIUM BIS(TRIMETHYLSILYL)AMIDE (123 mL, 122.97 mmol) and toluene (20 mL). The resultant mixture was stirred overnight at 100 °C (suspect that it did not need overnight. The reaction mixture was poured onto DCM (200 mL), the mixture was filtered through celite and evaporated to afford a black residue. This was suspended in EtOAc (200 mL) and water (20 mL) and filtered through a pad of silica, washing through with EtOAc (300 mL) and water (20 mL). The filtrate was evaporated to afford crude product. The crude product was purified by flash silica chromatography, elution gradient 0 to 30% EtOAc in isohexane. Pure fractions were evaporated to dryness to afford 1-(3-methoxyphenyl)piperidine-4-carbonitrile (3.29 g, 28.5 %) as a yellow oil which solidified on standing.

출처 및 근거

ORD 기록
ord-11b483655b194597ac2e93597b6914d4
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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