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Ethanol → Methyl 3-propionylbenzoate

HRID 1664697
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HRID 1664697 반응식
[C:1]([C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][CH:12]=1)[C:8]#N)(=[O:4])[CH2:2][CH3:3].[OH-:13].[K+].[CH2:15]([OH:17])C>>[CH3:15][O:17][C:8](=[O:13])[C:7]1[CH:10]=[CH:11][CH:12]=[C:5]([C:1](=[O:4])[CH2:2][CH3:3])[CH:6]=1
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참가 물질

4

반응물 3

HCID 702EthanolHCID 14797Potassium HydroxideHCID 138514843-Propanoylbenzonitrile

생성물 1

HCID 22139792Methyl 3-propionylbenzoate수율 56%

실험 절차

3-Propionyl-benzonitrile (0.61 g, 3.8 mmol) was refluxed in ethanol (5.3 mL) and KOH (0.48 g, 8.5 mmol) for 2 h. The ethanol was evaporated and the residue suspended in water (5 mL) and treated with 2N HCl (3.7 mL) to pH 1-2. The slurry was extracted with ethyl acetate. The combined organic phases were washed with water and saturated sodium chloride, dried over sodium sulphate and evaporated. The residue was dissolved in methanol (3.5 mL) and treated with 97% sulfuric acid (0.26 mL). The mixture was stirred at room temperature for 16 h, then at 70° C. for 7.5 h and at 50° C. for 16 h. After evaporation of methanol, the residue was suspended in water and extracted with ethyl acetate. The combined organic phases were washed with water and saturated sodium chloride, dried over sodium sulphate and evaporated. The residue was purified by flash chromatography (heptane/ethyl acetate gradient) to yield 3-propionyl-benzoic acid methyl ester as an off-white solid (0.42 g, 56%).

후처리

  1. customThe ethanol was evaporated
  2. additiontreated with 2N HCl (3.7 mL) to pH 1-2
  3. extractionThe slurry was extracted with ethyl acetate
  4. washThe combined organic phases were washed with water and saturated sodium chloride
  5. dry with materialdried over sodium sulphate
  6. customevaporated
  7. dissolutionThe residue was dissolved in methanol (3.5 mL)
  8. additiontreated with 97% sulfuric acid (0.26 mL)
  9. waitat 70° C. for 7.5 h
  10. waitat 50° C. for 16 h
  11. customAfter evaporation of methanol
  12. extractionextracted with ethyl acetate
  13. washThe combined organic phases were washed with water and saturated sodium chloride
  14. dry with materialdried over sodium sulphate
  15. customevaporated
  16. customThe residue was purified by flash chromatography (heptane/ethyl acetate gradient)

출처 및 근거

ORD 기록
ord-e6806f6e76394a008e012ae78f79e66a
출처 데이터셋
uspto-grants-2011_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08039487B2

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