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Tetrabutylammonium Fluoride → 5-Benzyloxy-2-fluoromethyl-pyran-4-one

HRID 913000
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HRID 913000 반응식
[CH2:1]([O:8][C:9]1[C:10](=[O:21])[CH:11]=[C:12]([CH2:15]OS(C)(=O)=O)[O:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F-:22].C([N+](CCCC)(CCCC)CCCC)CCC>C(#N)C.C(OCC)(=O)C>[CH2:1]([O:8][C:9]1[C:10](=[O:21])[CH:11]=[C:12]([CH2:15][F:22])[O:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
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참가 물질

5

반응물 2

HCID 2724141Tetrabutylammonium Fluoride2회HCID 84562570methanesulfonic acid 5-benzyloxy-4-oxo-4H-pyran-2-ylmethyl ester

생성물 1

HCID 866235005-Benzyloxy-2-fluoromethyl-pyran-4-one

시약·촉매·용매 2

HCID 6342Acetonitrile용매2회HCID 8857Ethyl Acetate용매

실험 절차

To an ice/salt cooled solution of the sulfonate ester obtained in step 1 above ester (20.0 g, 64.4 mmol) in acetonitrile (120 mL) was added a mixture of a 75 wt % solution of tetrabutylammonium fluoride (35 g, 96.6 mmol) and 40 mL of acetonitrile. Additional tetrabutylammonium fluoride solution (35 g, 96.6 mmol) was added after 2.5 hrs and the reaction mixture was allowed to stir at room temperature for overnight. The reaction was concentrated in vacuo to give a dark red oil. The residue was diluted with 700 mL of ethyl acetate and washed 5 times with 120 mL of a 10% sodium hydrogen carbonate solution and twice with 120 mL of brine. The organic layer was dried over sodium sulfate, and concentrated to give a dark red oil. The crude product was purified by column chromatography on silica gel using a mixture of ethyl acetate and hexanes (1/1, v/v) as the eluant to give 5-benzyloxy-2-fluoromethyl-pyran-4-one as a waxy-like solid (10.0 g, 66% yield). 1H NMR (400 MHz, DMSO-D6) δ (ppm): 7.69 (s, 1H), 7.42-7.37 (m, 5H, H—Ar)), 6.57 (s, 1H), 5.36 (d, J=46.5 Hz, 2H, CFH2), 4.97 (m, 2H, OCH2).

후처리

  1. additionwas added
  2. concentrationThe reaction was concentrated in vacuo
  3. customto give a dark red oil
  4. washwashed 5 times with 120 mL of a 10% sodium hydrogen carbonate solution
  5. dry with materialThe organic layer was dried over sodium sulfate
  6. concentrationconcentrated
  7. customto give a dark red oil
  8. customThe crude product was purified by column chromatography on silica gel using
  9. additiona mixture of ethyl acetate and hexanes (1/1

출처 및 근거

ORD 기록
ord-9debb1f2a7974b79ba11fc95faaae624
출처 데이터셋
uspto-grants-2011_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08026261B2

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