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Sodium Hydroxide → 4,4,4-Trifluoro-3-(phenylamino)butanoic acid

HRID 418704
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HRID 418704 반응식
[F:1][C:2]([F:23])([F:22])[CH:3]([CH:11](C(OCC)=O)[C:12]([O:14]CC)=[O:13])[NH:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1.[OH-].[Na+]>O.C(O)C>[F:1][C:2]([F:22])([F:23])[CH:3]([NH:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[CH2:11][C:12]([OH:14])=[O:13]
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참가 물질

5

반응물 2

HCID 14798Sodium HydroxideHCID 12990241Diethyl 2-(2,2,2-trifluoro-1-(phenylamino)ethyl)malonate

생성물 1

HCID 129902464,4,4-Trifluoro-3-(phenylamino)butanoic acid수율 13.4%

시약·촉매·용매 2

HCID 702Ethanol용매HCID 962Water용매

실험 절차

A solution of compound 326 (2.16 g, 6.48 mmol) and sodium hydroxide (2.60 g, 64.8 mmol) in water (5.2 mL) and ethanol (26 mL) was stirred at room temperature for 24 h. The solvents were removed under reduced pressure leaving a white solid which was triturated in ether, isolated by filtration, rinsed with ether and dried under high vacuum. The white solid was dissolved in water (12 mL), and the solution was neutralized to pH 4 with a 3N HCl solution, extracted twice with EtOAc, the combined organic layers were dried over sodium sulfate and the solvent removed under reduced pressure. The solid was dissolved in dry toluene (20 mL), heated to reflux for 1 h with continuous stirring, and the solvent was removed under reduced pressure. The residue was purified by column chromatography on silica gel (eluent EtOAc-hexane, gradient 0:100 to 40:60) to afford title compound 327 (204 mg, 0.87 mmol, 13% yield) as a beige solid. 1H NMR (400 MHz, CDCl3) δ ppm: 7.24-7.18 (m, 2H), 6.82 (tt, J=7.2, 1.0 Hz, 1H), 6.75-6.71 (m, 2H), 4.55-4.45 (m, 1H), 2.89 (dd, J=16.0, 4.4 Hz, 1H), 2.67 (dd, J=16.0, 8.8 Hz, 1H). LRMS (M−1) 231.9 (100%).

후처리

  1. customThe solvents were removed under reduced pressure
  2. customleaving a white solid which
  3. customwas triturated in ether
  4. customisolated by filtration
  5. washrinsed with ether
  6. customdried under high vacuum
  7. dissolutionThe white solid was dissolved in water (12 mL)
  8. extractionextracted twice with EtOAc
  9. dry with materialthe combined organic layers were dried over sodium sulfate
  10. customthe solvent removed under reduced pressure
  11. dissolutionThe solid was dissolved in dry toluene (20 mL)
  12. temperatureheated
  13. temperatureto reflux for 1 h with continuous stirring
  14. customthe solvent was removed under reduced pressure
  15. customThe residue was purified by column chromatography on silica gel (eluent EtOAc-hexane, gradient 0:100 to 40:60)

출처 및 근거

ORD 기록
ord-69bcaa285e6146aba781219832c91d59
출처 데이터셋
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08093264B2

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