Potassium Chloride → 3-(2-Chloro-4-methoxy-phenyl)-propenal

HRID 597882

반응식

HRID 597882 반응식
Br[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[Cl:10].[Cl-].[K+].C([O-])([O-])=O.[K+].[K+].C([O:21][CH:22](OCC)[CH:23]=[CH2:24])C>CN(C=O)C>[Cl:10][C:3]1[CH:4]=[C:5]([O:8][CH3:9])[CH:6]=[CH:7][C:2]=1[CH:24]=[CH:23][CH:22]=[O:21]

참가 물질

6

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온도
100 °C

실험 절차

To a mixture of 4-bromo-3-chloro anisole (35 g, 0.159 mol), KCl (11.9 g, 0.160 mol, 1 eq.), K2CO3 (33 g, 0.238 mol, 1.5 eq) in 400 mL DMF in a sealed tube was added acrolein diethylacetal (73 mL, 0.479 mol, 3 eq.) and Bu4NOAc (96 g, 0.318 mol, 2 eq.). N2 was bubbled through the mixture and Pd(OAc)2 (1.1 g, 4. mmol, 3 mol %) was added. The reaction mixture was heated in an oil bath for 6 hr at 100° C. then cooled in an ice-bath. 300 mL of water was then added, followed by 500 mL of 1N HCl. The ice-bath was removed and the mixture was stirred for 30 min. The solution was extracted with ethyl acetate once then with diethyl ether 3 times. The combined organic layer washed with water, brine, dried over MgSO4, filtered and concentrated to provide the crude product which was recrystallized from hot ethyl acetate-hexanes to provide 15.5 g of crystalline 3-(2-chloro-4-methoxy-phenyl)-propenal. The mother liquor was concentrated and chromatographed with 10% ethyl acetate to provide another 5.6 g of 3-(2-chloro-4-methoxy-phenyl)-propenal.

후처리

  1. customN2 was bubbled through the mixture and Pd(OAc)2 (1.1 g, 4. mmol, 3 mol %)
  2. additionwas added
  3. temperaturethen cooled in an ice-bath
  4. addition300 mL of water was then added
  5. customThe ice-bath was removed
  6. extractionThe solution was extracted with ethyl acetate once
  7. washThe combined organic layer washed with water, brine
  8. dry with materialdried over MgSO4
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customto provide the crude product which
  12. customwas recrystallized from hot ethyl acetate-hexanes

출처 및 근거

ORD 기록
ord-f8b98ca4099f4e11aa05f87a6731bd22
출처 데이터셋
uspto-grants-2011_03
특허 번호
US07897601B2

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