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Lawesson's reagent → 5-(5-Bromo-2-fluorophenyl)-6,6-difluoro-5-methyl-1,4-oxazepane-3-thione

HRID 2196333
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HRID 2196333 반응식
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([F:19])=[C:6]([C:8]2([CH3:18])[C:14]([F:16])([F:15])[CH2:13][O:12][CH2:11][C:10](=O)[NH:9]2)[CH:7]=1.COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:29])=CC=1>C1COCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([F:19])=[C:6]([C:8]2([CH3:18])[C:14]([F:16])([F:15])[CH2:13][O:12][CH2:11][C:10](=[S:29])[NH:9]2)[CH:7]=1
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참가 물질

4

반응물 2

HCID 87949Lawesson's reagentHCID 666660575-(5-Bromo-2-fluorophenyl)-6,6-difluoro-5-methyl-1,4-oxazepan-3-one

생성물 1

HCID 866502735-(5-Bromo-2-fluorophenyl)-6,6-difluoro-5-methyl-1,4-oxazepane-3-thione

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

To a solution of 5-(5-bromo-2-fluorophenyl)-6,6-difluoro-5-methyl-1,4-oxazepan-3-one (2.0 g, 5.93 mmol) in THF (25 mL) was added Lawesson's reagent (2.87 g, 7.1 mmol) at rt and heated to reflux temperature for 16 h. Reaction mixture was concentrated under reduced pressure and directly purified by column chromatography on silica gel using 4% ethyl acetate in Hexane to furnish title compound as colorless gum. Yield=1.0 g (50%). LCMS: RtH8=1.75 [M+H]+=354.8, 355.7,

후처리

  1. temperatureheated
  2. temperatureto reflux temperature for 16 h
  3. customReaction mixture
  4. concentrationwas concentrated under reduced pressure
  5. customdirectly purified by column chromatography on silica gel using 4% ethyl acetate in Hexane

출처 및 근거

ORD 기록
ord-9c60e42e3902461ca607f32532778d0e
출처 데이터셋
uspto-grants-2012_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08338413B1

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