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Divinyl sulfone → Thiomorpholine, 4-(2,6-difluorophenyl)-, 1,1-dioxide

HRID 896107
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HRID 896107 반응식
[Cl-].[Al+3].[Cl-].[Cl-].[CH:5]([S:7]([CH:10]=[CH2:11])(=[O:9])=[O:8])=[CH2:6].[F:12][C:13]1[CH:19]=[CH:18][CH:17]=[C:16]([F:20])[C:14]=1[NH2:15]>ClC1C=CC=CC=1>[F:12][C:13]1[CH:19]=[CH:18][CH:17]=[C:16]([F:20])[C:14]=1[N:15]1[CH2:11][CH2:10][S:7](=[O:9])(=[O:8])[CH2:5][CH2:6]1
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참가 물질

5

반응물 3

HCID 6496Divinyl sulfoneHCID 796472,6-DifluoroanilineHCID 6451240Aluminum(III) Chloride

생성물 1

HCID 9921212Thiomorpholine, 4-(2,6-difluorophenyl)-, 1,1-dioxide

시약·촉매·용매 1

HCID 7964Chlorobenzene용매

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온도
110 °C

실험 절차

Aluminum chloride (310 g, 2.3 mol) is added to chlorobenzene (2.5 L) to give a cloudy green suspension. Vinyl sulfone (230 mL, 2.3 mol) is added via funnel, followed by 2,6-difluoroaniline (250 mL, 2.3 mol). The light brown solution is heated to 110° C. Upon completion of the reaction, the heat is removed and the black solution is self-cooled to 70° C. The reaction mixture is then quenched in methylene chloride (4 L) and ice water (5 L), the aqueous phase is extracted with methylene chloride (3 L, 2 L, 2 L, 2 L) and the combined organic layers are concentrated, rediluted with branched octane (3 L), and then cooled to 0° C. for 30 minutes. The solids are filtered and washed with branched octane (2×500 mL) and are then dissolved in methylene chloride (3 L) and loaded onto a silica gel plug (1.8 kg). The column is eluted with dichloromethane (16 L) until clear. The methylene chloride solution is concentrated, and the solids are dissolved in hot ethyl acetate (3 L) followed by the addition of hexanes (900 mL). The black solution is self-cooled to room temperature overnight, and the resulting light amber crystal needles are filtered and washed with hexanes (4×250 mL). The solids are dried under reduced pressure at 50° C. overnight to give the title compound, 1H NMR (CDCl3) δ 7.08 (m, 1H), 6.91 (m, 2H), 3.67 (m, 4H), 3.18 (m, 4H).

후처리

  1. customto give a cloudy green suspension
  2. customUpon completion of the reaction
  3. customthe heat is removed
  4. temperaturethe black solution is self-cooled to 70° C
  5. customThe reaction mixture is then quenched in methylene chloride (4 L)
  6. extractionice water (5 L), the aqueous phase is extracted with methylene chloride (3 L, 2 L, 2 L, 2 L)
  7. concentrationthe combined organic layers are concentrated
  8. additionrediluted with branched octane (3 L)
  9. temperaturecooled to 0° C. for 30 minutes
  10. filtrationThe solids are filtered
  11. washwashed with branched octane (2×500 mL)
  12. dissolutionare then dissolved in methylene chloride (3 L)
  13. washThe column is eluted with dichloromethane (16 L) until clear
  14. concentrationThe methylene chloride solution is concentrated
  15. dissolutionthe solids are dissolved in hot ethyl acetate (3 L)
  16. additionfollowed by the addition of hexanes (900 mL)
  17. temperatureThe black solution is self-cooled to room temperature overnight
  18. filtrationthe resulting light amber crystal needles are filtered
  19. washwashed with hexanes (4×250 mL)
  20. customThe solids are dried under reduced pressure at 50° C. overnight

출처 및 근거

ORD 기록
ord-45b37a61ad344e2891e51c885f02d262
출처 데이터셋
uspto-grants-2005_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06919329B2

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