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Iodopentafluoroethane → 1-(5-Bromo-pyridin-3-yl)-4,4,5,5,5-pentafluoro-pent-1-en-3-one

HRID 2207895
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HRID 2207895 반응식
[F:1][C:2]([F:8])([F:7])[C:3]([F:6])([F:5])I.C[Li].[Br-].[Li+].[Br:13][C:14]1[CH:15]=[C:16]([CH:20]=[CH:21][C:22](N(OC)C)=[O:23])[CH:17]=[N:18][CH:19]=1>>[Br:13][C:14]1[CH:15]=[C:16]([CH:20]=[CH:21][C:22](=[O:23])[C:3]([F:6])([F:5])[C:2]([F:8])([F:7])[F:1])[CH:17]=[N:18][CH:19]=1
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참가 물질

4

반응물 3

HCID 9636IodopentafluoroethaneHCID 1317359463-(5-bromo-pyridin-3-yl)-N-methoxy-N-methyl-acrylamideHCID 178419607HCID 178419607, 화합물

생성물 1

HCID 1317359471-(5-Bromo-pyridin-3-yl)-4,4,5,5,5-pentafluoro-pent-1-en-3-one수율 29%

실험 절차

To a saturated solution of pentafluoroiodoethane (0.84 M, in diethyl ether) (108.0 mL, 91.0 mmol), was slowly added a solution of methyllithium/lithium bromide (1.5 M, in diethyl ether) (61.0 mL, 91.0 mmol) under nitrogen atmosphere at −78° C. The reaction mixture was stirred for 20 minutes and then a solution of 3-(5-bromo-pyridin-3-yl)-N-methoxy-N-methyl-acrylamide (8.2 g, 30.3 mmol, in diethyl ether/tetrahydrofuran 50.0 mL/150.0 mL) prepared in Step 2 was slowly added thereto at −78° C. The reaction mixture was stirred at room temperature for 2 hours, quenched with distilled water, acidified by a 10% potassium hydrogen sulfate solution (pH=5), and then extracted with ethyl acetate. The extract was washed with a saturated solution of sodium hydrogen carbonate, dried on anhydrous magnesium sulfate, and then concentrated under reduced pressure to give a yellow liquid residue. The resulting residue was purified by silica gel column chromatography (eluent: ethyl acetate/n-hexane=1/5) to give 2.9 g of the titled compound as a yellow solid.

후처리

  1. additionwas slowly added
  2. customat −78° C
  3. stirringThe reaction mixture was stirred at room temperature for 2 hours
  4. customquenched with distilled water
  5. extractionextracted with ethyl acetate
  6. washThe extract was washed with a saturated solution of sodium hydrogen carbonate
  7. dry with materialdried on anhydrous magnesium sulfate
  8. concentrationconcentrated under reduced pressure
  9. customto give a yellow liquid residue
  10. customThe resulting residue was purified by silica gel column chromatography (eluent: ethyl acetate/n-hexane=1/5)

출처 및 근거

ORD 기록
ord-1f518ac270b948ea8139add0b39efaaf
출처 데이터셋
uspto-grants-2016_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09376420B2

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