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Hydrogen Peroxide → (3S,4R)-rel-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

HRID 714217
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HRID 714217 반응식
N#N.[F:3][CH:4]1[C:9](=[CH2:10])[CH2:8][CH2:7][N:6]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:5]1.B1C2CCCC1CCC2.CC([O-])=[O:29].[Na+].OO>C1COCC1.O>[F:3][C@H:4]1[C@@H:9]([CH2:10][OH:29])[CH2:8][CH2:7][N:6]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:5]1.[F:3][C@H:4]1[C@H:9]([CH2:10][OH:29])[CH2:8][CH2:7][N:6]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:5]1
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참가 물질

9

반응물 5

HCID 784Hydrogen PeroxideHCID 947NitrogenHCID 789669-Borabicyclo(3.3.1)nonaneHCID 517045Sodium AcetateHCID 53302091Tert-butyl 3-fluoro-4-methylenepiperidine-1-carboxylate

생성물 2

HCID 89875921(3S,4R)-rel-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
HCID 90155926
trans-tert-Butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate

시약·촉매·용매 2

HCID 962Water용매HCID 8028Tetrahydrofuran용매

실험 절차

In a flame dried round-bottomed flask equipped with a magnetic stir bar and under inert atmosphere (N2), to a solution of tert-butyl 3-fluoro-4-methylenepiperidine-1-carboxylate (545 mg, 2.53 mmol) in THF (17 mL) was added dropwise a 0.5 M solution of 9-BBN (12.7 ml) at 0° C. The resulting solution was stirred for 16 h at rt. A solution of NaOAc 5M in water (1.7 mL) was added followed by H2O2 30% (1.7 mL), and the mixture was stirred for 14 h at rt. The mixture was then partitioned between EA and aq. sat. NaHCO3. The aqueous layer was extracted with EA, and the combined organic extracts were washed with brine, dried over MgSO4, filtered, and concentrated under reduced pressure. The residue was purified by FC (hexanes-EA, 3:2) to afford cis-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate as a colorless oil and trans-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate as a colorless oil. LC-MS-conditions 08: tR=0.65 min; [M-CH3+H]+=220.35 and tR=0.68 min; [M-CH3+H]+=220.36.

후처리

  1. stirringthe mixture was stirred for 14 h at rt
  2. customThe mixture was then partitioned between EA and aq. sat. NaHCO3
  3. extractionThe aqueous layer was extracted with EA
  4. washthe combined organic extracts were washed with brine
  5. dry with materialdried over MgSO4
  6. filtrationfiltered
  7. concentrationconcentrated under reduced pressure
  8. customThe residue was purified by FC (hexanes-EA, 3:2)

출처 및 근거

ORD 기록
ord-db554a5f561541938fc5e07218534799
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09187435B2

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