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Sulfuric Acid → 1-(4-Fluorophenyl)-3-methyl-1-butanone

HRID 1747727
ノート
印刷プレビュー

反応式

HRID 1747727 の反応式
[F:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#N)=[CH:4][CH:3]=1.[CH2:10]([Mg]Cl)[CH:11]([CH3:13])[CH3:12].[OH:16]S(O)(=O)=O>C(OCC)C>[F:1][C:2]1[CH:9]=[CH:8][C:5]([C:6](=[O:16])[CH2:10][CH:11]([CH3:13])[CH3:12])=[CH:4][CH:3]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 1118Sulfuric AcidHCID 145174-FluorobenzonitrileHCID 178418368HCID 178418368、化合物

生成物 1

HCID 206446201-(4-Fluorophenyl)-3-methyl-1-butanone収率 42%

試薬・触媒・溶媒 1

HCID 3283Diethyl Ether溶媒

実験手順

To a solution of 4-fluoro-benzonitrile (6 g, 49.5 mmol) in diethyl ether (200 mL) was added i-BuMgCl (1 M soln in THF) and the reaction mixture heated to reflux for 16 hours. The reaction mixture was cooled to room temperature and poured into a mixture 6 N H2SO4 (60 mL) and ice (500 mL), then stirred at 0° C. for 30 min. The aqueous layer was extracted with ethyl acetate (200 mL), the combined organic layers were washed with brine (100 mL), dried (MgSO4), and concentrated. The residue was purified by column chromatography (80 g, SiO2, 0 to 40% diethyl ether/dichloromethane 1:1 in hexanes) to provide 1-(4-fluorophenyl)-3-methylbutan-1-one as a colorless oil (3.72 g, 42%): 1H NMR (300 MHz, CHLOROFORM-d) δ ppm 1.00 (d, J=6.78 Hz, 6H), 2.29 (dt, J=13.47, 6.64 Hz, 1H), 2.81 (d, J=6.78 Hz, 2H), 7.06-7.19 (m, 2H), 7.94-8.02 (m, 2H); MS m/z 172 (Dimer-OH)++.

後処理

  1. temperaturethe reaction mixture heated
  2. temperatureto reflux for 16 hours
  3. extractionThe aqueous layer was extracted with ethyl acetate (200 mL)
  4. washthe combined organic layers were washed with brine (100 mL)
  5. dry with materialdried (MgSO4)
  6. concentrationconcentrated
  7. customThe residue was purified by column chromatography (80 g, SiO2, 0 to 40% diethyl ether/dichloromethane 1:1 in hexanes)

出典と根拠

ORDレコード
ord-24888662d0a648df97902b1a24c5e89e
出典データセット
uspto-grants-2015_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09150582B2

反応ノート

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