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Diethyl Ether → 1-(Pyridin-2-yl)butan-1-one

HRID 1685300
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HRID 1685300 반응식
[C:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=1)#N.[CH2:9]([Mg]Br)[CH2:10][CH3:11].C(Br)CC.CC[O:20]CC>>[N:4]1[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=1[C:1](=[O:20])[CH2:9][CH2:10][CH3:11]
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참가 물질

5

반응물 4

HCID 3283Diethyl Ether2회HCID 7522Pyridine-2-carbonitrileHCID 78401-BromopropaneHCID 178455851HCID 178455851, 화합물

생성물 1

HCID 5563481-(Pyridin-2-yl)butan-1-one

실험 절차

A solution of 2-cyanopyridine (2.20 g, 21.13 mmol) in Et2O (35 mL) added over 10 min to a rapidly stirring solution of freshly prepared n-PrMgBr (from n-PrBr (2.71 g, 22.03 mmol) and Mg (0.62 g) in Et2O (35 mL). Once addition was completed, the reaction was heated to reflux in a warm water bath for 2.5 hours. The reaction was cooled to RT then placed in ice, quenched with 5 mL H2O followed by 60 mL 5N H2SO4. The ether phase was separated. The aqueous phase was heated in warm water for 15 minutes, then cooled in ice, basified with sat. K2CO3. The mixture was extracted with CHCl3 and dried over K2CO3. The solution was filtered, concentrated and purified on Biotage Horizon (10-100% A=Hex, B=2:1 Hex:EtOAc) to afford 1.16 g of 1-(pyridin-2-yl)butan-1-one as an oil: 1H NMR (400 MHz, CDCl3) δ ppm 8.67 (ddd, J=4.74, 1.71, 0.88 Hz, 1H), 8.03 (dt, J=7.83, 1.01 Hz, 1H), 7.82 (td, J=7.71, 1.77 Hz, 1H), 7.45 (ddd, J=7.52, 4.74, 1.14 Hz, 1H), 3.15-3.21 (m, 2H), 1.71-1.80 (m, J=7.43, 7.43, 7.43, 7.43, 7.43 Hz, 2H), 1.00 (t, J=7.33 Hz, 3H).

후처리

  1. additionOnce addition
  2. temperaturethe reaction was heated
  3. temperatureto reflux in a warm water bath for 2.5 hours
  4. customquenched with 5 mL H2O
  5. customThe ether phase was separated
  6. temperatureThe aqueous phase was heated in warm water for 15 minutes
  7. temperaturecooled in ice
  8. extractionThe mixture was extracted with CHCl3
  9. dry with materialdried over K2CO3
  10. filtrationThe solution was filtered
  11. concentrationconcentrated
  12. custompurified on Biotage Horizon (10-100% A=Hex, B=2:1 Hex:EtOAc)

출처 및 근거

ORD 기록
ord-cbffcd7f1d44474dbd0567fbe3d69cec
출처 데이터셋
uspto-grants-2012_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08148400B2

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