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Diethyl Ether → (3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)(4-fluorophenyl)methanone

HRID 238725
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HRID 238725 반응식
Br[C:2]1[CH:7]=[C:6]([O:8][C:9]([F:14])([F:13])[CH:10]([F:12])[F:11])[CH:5]=[C:4]([F:15])[CH:3]=1.[Li]CCCC.[F:21][C:22]1[CH:29]=[CH:28][C:25]([C:26]#N)=[CH:24][CH:23]=1.CC[O:32]CC>>[F:15][C:4]1[CH:3]=[C:2]([C:26]([C:25]2[CH:28]=[CH:29][C:22]([F:21])=[CH:23][CH:24]=2)=[O:32])[CH:7]=[C:6]([O:8][C:9]([F:14])([F:13])[CH:10]([F:12])[F:11])[CH:5]=1
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5

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HCID 3283Diethyl Ether2회HCID 145174-FluorobenzonitrileHCID 236551051-Bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzeneHCID 178418339Butyllithium

생성물 1

HCID 59458419(3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)(4-fluorophenyl)methanone

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온도
-78 °C

실험 절차

To an oven-dried round-bottomed flask cooled at −78° C., was added 1-bromo-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene (7.20 g, 24.82 mmol) in anhydrous ether (300 mL) under Argon, and the mixture was stirred at −78° C. for 10 min. n-BuLi (2.5 M in hexanes, 11.5 mL, 28.75 mmol, 1.16 eq) was added dropwise at −78° C. The reaction mixture was stirred at −78° C. for 45 min. An Et2O solution (20 mL) of 4-fluorobenzonitrile (3.06 g, 25.29 mmol, 1.02 eq) was added dropwise. The resulting reddish solution was stirred at −78° C. for 2 h. The reaction mixture was quenched by adding 1N HCl (200 mL), and the dry ice-acetone bath was removed. The resulting slurry was stirred at room temperature for 1 h followed by the addition of Et2O (100 mL). The organic layer was separated, and then washed with sat'd NaHCO3, H2O, brine, dried over MgSO4, filtered, and concentrated to dryness. The residue was purified by flash chromatography (EtOAc/hexanes=0 to 30%) to give (3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl)(4-fluorophenyl)methanone as slightly tan oil (7.20 g, yield: 86.9%). 1H NMR (400 MHz, CDCl3) δ ppm 7.85-7.80 (m, 2H), 7.40-7.37 (m, 2H), 7.20-7.14 (m, 3H), 5.92 (tt, J=52, 2.8 Hz, 1H); LC-MS (ESI) 335.31 (M+H), retention time=3.81 min (10-90% MeOH in H2O with 0.1% TFA in a 4-min run).

후처리

  1. additionwas added dropwise at −78° C
  2. stirringThe resulting reddish solution was stirred at −78° C. for 2 h
  3. customThe reaction mixture was quenched
  4. additionby adding 1N HCl (200 mL)
  5. customthe dry ice-acetone bath was removed
  6. stirringThe resulting slurry was stirred at room temperature for 1 h
  7. additionfollowed by the addition of Et2O (100 mL)
  8. customThe organic layer was separated
  9. washwashed with sat'd NaHCO3, H2O, brine
  10. dry with materialdried over MgSO4
  11. filtrationfiltered
  12. concentrationconcentrated to dryness
  13. customThe residue was purified by flash chromatography (EtOAc/hexanes=0 to 30%)

출처 및 근거

ORD 기록
ord-16d5ba43c5c74a38a9748e5479af34cf
출처 데이터셋
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08642576B2

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