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Triethylamine → (R)-3-(2,5-difluoropyrimidin-4-yl)-4-((S)-1-fluoroethyl)oxazolidin-2-one

HRID 57483
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HRID 57483 반응식
[F:1][C:2]1[N:7]=[C:6]([N:8]2[C@@H:12]([C@H:13](O)[CH3:14])[CH2:11][O:10][C:9]2=[O:16])[C:5]([F:17])=[CH:4][N:3]=1.[F:18]C(F)(S(F)(=O)=O)C(F)(F)C(F)(F)C(F)(F)F.F.F.F.C(N(CC)CC)C.C(N(CC)CC)C>C(#N)C.O.CCOC(C)=O.CCCCCCC>[F:1][C:2]1[N:7]=[C:6]([N:8]2[C@@H:12]([C@@H:13]([F:18])[CH3:14])[CH2:11][O:10][C:9]2=[O:16])[C:5]([F:17])=[CH:4][N:3]=1
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8

반응물 4

HCID 8471TriethylamineHCID 67814Perfluoro-1-butanesulfonyl fluorideHCID 175505N,N-Diethylethanamine trihydrofluorideHCID 90422868(R)-3-(2,5-difluoropyrimidin-4-yl)-4-((R)-1-hydroxyethyl)oxazolidin-2-one

생성물 1

HCID 90423517(R)-3-(2,5-difluoropyrimidin-4-yl)-4-((S)-1-fluoroethyl)oxazolidin-2-one수율 47.5%

시약·촉매·용매 3

HCID 962Water용매HCID 6342Acetonitrile용매HCID 21899848Ethylacetate heptane용매

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온도
0 °C

실험 절차

To a round bottom flask containing a solution of (R)-3-(2,5-difluoropyrimidin-4-yl)-4-((R)-1-hydroxyethyl)oxazolidin-2-one (4.64 g, 18.9 mmol) in Acetonitrile (63 mL) cooled to 0° C. was added perfluorobutanesulfonyl fluoride (10.2 mL, 56.8 mmol) followed by the addition of triethylamine trihydrofluoride (9.2 mL, 56.8 mmol) and triethylamine (23.7 mL, 170 mmol). The resulting reaction mixture allowed to stir at 0° C. for 4 hr. The reaction mixture was then diluted with water and the aqueous mixture was extracted with EtOAc. The organic phases combined, washed with water, brine, dried (Na2SO4), filtered and concentrated onto silica gel. Silica gel column chromatography (EtOAc/Heptane 0 to 100%) provided a white crystalline of (R)-3-(2,5-difluoropyrimidin-4-yl)-4-((S)-1-fluoroethyl)oxazolidin-2-one (2.24 g, 8.97 mmol, 47% yield). 1H NMR (400 MHz, CDCl3) 8.50 (s, 1H), 5.00-5.25 (m, 1H), 4.75-4.92 (m, 1H), 4.54-4.68 (m, 2H), 1.39 (dd, J=23.1, 7.0 Hz, 3H). LCMS m/z 248.0 (M+H)+, Rt 0.52 min.

후처리

  1. customThe resulting reaction mixture
  2. extractionthe aqueous mixture was extracted with EtOAc
  3. washwashed with water, brine
  4. dry with materialdried (Na2SO4)
  5. filtrationfiltered
  6. concentrationconcentrated onto silica gel

출처 및 근거

ORD 기록
ord-9da1ac267c7f4cb2ae27adafc2ed6cc5
출처 데이터셋
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09434719B2

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