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Cesium fluoride → HCID 178450303, 화합물

HRID 467842
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HRID 467842 반응식
[CH:1]1([O:4][C:5]2[CH:6]=[C:7]3[C:12](=[CH:13][CH:14]=2)[N:11]=[C:10]([C:15]([C:20]2[N:24](COCC[Si](C)(C)C)[N:23]=[N:22][CH:21]=2)([OH:19])[CH:16]([CH3:18])[CH3:17])[CH:9]=[CH:8]3)[CH2:3][CH2:2]1.[F-].[Cs+].CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C1COCC1>[CH:1]1([O:4][C:5]2[CH:6]=[C:7]3[C:12](=[CH:13][CH:14]=2)[N:11]=[C:10]([C:15]([C:20]2[N:24]=[N:23][NH:22][CH:21]=2)([OH:19])[CH:16]([CH3:18])[CH3:17])[CH:9]=[CH:8]3)[CH2:2][CH2:3]1
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참가 물질

5

반응물 3

HCID 25953Cesium fluorideHCID 2724141Tetrabutylammonium FluorideHCID 69281306HCID 69281306, 화합물

생성물 1

HCID 178450303HCID 178450303, 화합물수율 33.8%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

To a stirred solution of 1-(6-cyclopropoxyquinolin-2-yl)-2-methyl-1-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-1,2,3-triazol-5-yl)propan-1-ol (AR) (0.35 g, 0.77 mmol) in THF (5 mL) was added CsF (0.42 g, 3.08 mmol) followed by TBAF (1 mL, 0.77 mmol, 1M solution in THF) at RT and stirred under reflux for 12 h under inert atmosphere. After consumption of the starting material (by TLC), the reaction mixture was quenched with water (20 mL) and extracted with EtOAc (3×30 mL). The combined organic layer was washed with water, brine and dried over anhydrous Na2SO4 and concentrated under reduced pressure. The obtained crude product was purified by silica gel column chromatography using 30% EtOAc/hexane as eluent to afford 8 (85 mg, 0.26 mmol, 33%) as off-white solid. 1H NMR (500 MHz, CDCl3): δ 11.82-11.60 (br s, 1H), 8.08 (d, J=9.0 Hz, 1H), 7.97 (d, J=10.0 Hz, 1H), 7.81 (br s, 2H), 7.38-7.36 (m, 2H), 6.62 (s, 1H), 3.85-3.84 (m, 1H), 2.82-2.80 (m, 1H), 0.98 (d, J=7.0 Hz, 3H), 0.87-0.83 (m, 4H), 0.64 (d, J=7.0 Hz, 3H). HPLC: 98.3%. MS (ESI): m/z 325.9 [M++1].

후처리

  1. temperatureunder reflux for 12 h under inert atmosphere
  2. customAfter consumption of the starting material (by TLC)
  3. customthe reaction mixture was quenched with water (20 mL)
  4. extractionextracted with EtOAc (3×30 mL)
  5. washThe combined organic layer was washed with water, brine
  6. dry with materialdried over anhydrous Na2SO4
  7. concentrationconcentrated under reduced pressure
  8. customThe obtained crude product
  9. customwas purified by silica gel column chromatography

출처 및 근거

ORD 기록
ord-f3fccce66f2b4489a28e70c9004099fa
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08623892B2

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