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Acetonitrile → 3-(6-Bromopyridin-2-yl)-3-oxopropanenitrile

HRID 1748760
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HRID 1748760 반응식
[H-].[Na+].[C:3](#[N:5])[CH3:4].[Br:6][C:7]1[N:12]=[C:11]([C:13]([O:15]CC)=O)[CH:10]=[CH:9][CH:8]=1>C1COCC1>[Br:6][C:7]1[N:12]=[C:11]([C:13](=[O:15])[CH2:4][C:3]#[N:5])[CH:10]=[CH:9][CH:8]=1
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참가 물질

5

반응물 3

HCID 6342AcetonitrileHCID 24758Sodium hydrideHCID 2758810Ethyl 6-Bromopicolinate

생성물 1

HCID 534172293-(6-Bromopyridin-2-yl)-3-oxopropanenitrile수율 58.5%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

To a suspension of sodium hydride (0.6 g, 60% in oil, 15.7 mmol) in anhydrous THF (70 mL) was added dropwise anhydrous acetonitrile (1.02 mL, 19.6 mmol). The mixture was stirred for about 30 min at rt and then ethyl 6-bromopyridine-2-carboxylate (3.00 g, 13.0 mmol, Apollo Scientific) was added. Subsequently, the resulting mixture was heated under reflux, for about 2 h. After cooling to rt, the volatiles were removed in vacuo and to the residue was added saturated aqueous ammonium chloride (150 mL) and ethyl acetate (600 mL). The resulting layers were separated, and the aqueous layer was extracted with ethyl acetate (2×125 mL). The combined organic layers were washed with water (2×100 mL), dried (MgSO4), filtered, and concentrated in vacuo. The residue was purified by column chromatography (SiO2, ethyl acetate/hexanes 1:3) to give crude 3-(6-bromo-2-pyridyl)-3-oxo-propanenitrile (1.71 g, 7.6 mmol, 58%), as a pale yellow solid: 1H-NMR (CDCl3, Bruker 400 MHz) δ 4.38 (2 H, s); 7.74-7.84 (2 H, m); 8.08 (1 H, dd, J=2 Hz, 6.5 Hz).

후처리

  1. temperatureSubsequently, the resulting mixture was heated
  2. temperatureunder reflux, for about 2 h
  3. temperatureAfter cooling to rt
  4. customthe volatiles were removed in vacuo and to the residue
  5. additionwas added saturated aqueous ammonium chloride (150 mL) and ethyl acetate (600 mL)
  6. customThe resulting layers were separated
  7. extractionthe aqueous layer was extracted with ethyl acetate (2×125 mL)
  8. washThe combined organic layers were washed with water (2×100 mL)
  9. dry with materialdried (MgSO4)
  10. filtrationfiltered
  11. concentrationconcentrated in vacuo
  12. customThe residue was purified by column chromatography (SiO2, ethyl acetate/hexanes 1:3)

출처 및 근거

ORD 기록
ord-26febe06ec404c8db63951c02cb225fa
출처 데이터셋
uspto-grants-2015_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09150592B2

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