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Potassium Carbonate → Tert-butyl 4-[4-methoxy-4-(methoxycarbonyl)piperidin-1-yl]azepane-1-carboxylate

HRID 714537
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HRID 714537 반응식
Cl.[CH3:2][O:3][C:4]([C:6]1([O:12][CH3:13])[CH2:11][CH2:10][NH:9][CH2:8][CH2:7]1)=[O:5].C([O-])([O-])=O.[K+].[K+].[C:20]([O:24][C:25]([N:27]1[CH2:33][CH2:32][CH2:31][C:30](=O)[CH2:29][CH2:28]1)=[O:26])([CH3:23])([CH3:22])[CH3:21].C([BH3-])#N.[Na+]>CO.[Cl-].[Zn+2].[Cl-].O>[CH3:13][O:12][C:6]1([C:4]([O:3][CH3:2])=[O:5])[CH2:7][CH2:8][N:9]([CH:30]2[CH2:31][CH2:32][CH2:33][N:27]([C:25]([O:24][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:26])[CH2:28][CH2:29]2)[CH2:10][CH2:11]1
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8

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HCID 11430Potassium CarbonateHCID 1512679N-Boc-hexahydro-1H-azepin-4-oneHCID 5003444Sodium cyanoborohydrideHCID 74890099Methyl 4-methoxypiperidine-4-carboxylate hydrochloride

생성물 1

HCID 117678494Tert-butyl 4-[4-methoxy-4-(methoxycarbonyl)piperidin-1-yl]azepane-1-carboxylate수율 18.5%

시약·촉매·용매 3

HCID 3007855
Zincchloride
촉매
HCID 887Methanol용매2회
HCID 962Water용매

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온도
50 °C

실험 절차

4-Methoxypiperidine-4-carboxylic acid methyl ester hydrochloride (0.50 g, 2.38 mmol) was dissolved in methanol (10 mL) and treated with K2CO3 (0.328 g, 2.38 mmol) in a minimum of water to de-salt. The reaction mixture was concentrated in vacuo and azeotroped to dryness with toluene. The residue and 4-oxoazepane-1-carboxylic acid tert-butyl ester (0.745 g, 2.38 mmol) were dissolved in methanol (20 mL) at rt and treated with zinc chloride (0.975 g, 7.15 mmol). The reaction mixture was stirred at 50° C. for 3 h. The solution was cooled to room temperature, sodium cyanoborohydride (0.299 g, 4.77 mmol) was added and the reaction mixture was stirred at 50° C. overnight under nitrogen. The solvents were removed in vacuo, and the residue was partitioned between DCM and sat. NaHCO3 sol. The aqueous phase was extracted with DCM (2×20 mL). The organics were combined, washed with sat. NaCl sol. and dried by passing through a Biotage Phase Separator cartridge. The solvents were removed in vacuo and the residue was purified by column chromatography (normal phase, [Biotage SNAP cartridge KP-sil 25 g, 40-63 μm, 60 Å, 50 mL per min, gradient 1% to 10% MeOH in DCM]) to give tert-butyl 4-[4-methoxy-4-(methoxycarbonyl)piperidin-1-yl]azepane-1-carboxylate (0.163 g, 15.5%) as a colourless oil.

후처리

  1. concentrationThe reaction mixture was concentrated in vacuo
  2. customazeotroped to dryness with toluene
  3. temperatureThe solution was cooled to room temperature
  4. stirringthe reaction mixture was stirred at 50° C. overnight under nitrogen
  5. customThe solvents were removed in vacuo
  6. customthe residue was partitioned between DCM and sat. NaHCO3 sol. The aqueous phase
  7. extractionwas extracted with DCM (2×20 mL)
  8. washwashed with sat. NaCl sol.
  9. customdried
  10. customThe solvents were removed in vacuo
  11. customthe residue was purified by column chromatography (normal phase, [Biotage SNAP cartridge KP-sil 25 g, 40-63 μm, 60 Å, 50 mL per min, gradient 1% to 10% MeOH in DCM])

출처 및 근거

ORD 기록
ord-d8afd22210054de398f69b9d6befbe7a
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09187451B2

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