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N,N,N',N'-Tetramethylethylenediamine → [3,5-difluoro-4-(tetrahydro-4-hydroxy-2H-thiopyran-4-yl)phenyl]carbamic Acid, 1-methylethyl Ester

HRID 1816440
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HRID 1816440 반응식
C([Li])CCC.[CH:6]([O:9][C:10](=[O:20])[NH:11][C:12]1[CH:17]=[C:16]([F:18])[CH:15]=[C:14]([F:19])[CH:13]=1)([CH3:8])[CH3:7].CN(C)CCN(C)C.[S:29]1[CH2:34][CH2:33][C:32](=[O:35])[CH2:31][CH2:30]1>C1COCC1>[F:18][C:16]1[CH:17]=[C:12]([NH:11][C:10](=[O:20])[O:9][CH:6]([CH3:8])[CH3:7])[CH:13]=[C:14]([F:19])[C:15]=1[C:32]1([OH:35])[CH2:33][CH2:34][S:29][CH2:30][CH2:31]1
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참가 물질

6

반응물 4

HCID 8037N,N,N',N'-TetramethylethylenediamineHCID 66173Tetrahydrothiopyran-4-oneHCID 58978077Isopropyl 3,5-difluoro-phenylcarbamateHCID 178418339Butyllithium

생성물 1

HCID 86598977[3,5-difluoro-4-(tetrahydro-4-hydroxy-2H-thiopyran-4-yl)phenyl]carbamic Acid, 1-methylethyl Ester

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매
2회

실험 절차

n-Butyllithium (2.5M in hexanes, 57.2 mL, 0.143 mol) was added dropwise with stirring at −78° C. to (3,5-difluoro-phenyl)-carbamic acid isopropyl ester (15.0 g, 0.07 mol) and N, N, N′, N′-tetramethylethylenediamine (21.04 mL, 0.139 mol) in THF (150 mL), and stirred for 20 min at this temperature. Tetrahydrothiopyran-4-one (8.50 g, 0.073 mol) dissolved in THF (10 mL) was then added dropwise at −78° C., stirred for 1 h, and then allowed to warm to room temperature. The reaction was stirred for another hour and then quenched with saturated aqueous ammonium chloride (100 mL). The reaction mixture was extracted with ethyl acetate, the extracts washed with brine, dried (MgSO4), and evaporated. The residue was purified by flash column chromatography (30% ethyl acetate/hexane) to give the title compound as white solid.

후처리

  1. additionwas then added dropwise at −78° C.
  2. stirringstirred for 1 h
  3. stirringThe reaction was stirred for another hour
  4. customquenched with saturated aqueous ammonium chloride (100 mL)
  5. extractionThe reaction mixture was extracted with ethyl acetate
  6. washthe extracts washed with brine
  7. dry with materialdried (MgSO4)
  8. customevaporated
  9. customThe residue was purified by flash column chromatography (30% ethyl acetate/hexane)

출처 및 근거

ORD 기록
ord-475a1e757a554d419c52036850924373
출처 데이터셋
uspto-grants-2005_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06884813B2

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