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tert-Butylsulfinamide, (R)-(+)- → (NZ,R)-N-[1-(1-benzylpiperidin-4-yl)pent-4-enylidene]-2-methylpropane-2-sulfinamide

HRID 579583
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HRID 579583 반응식
[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([C:14](=O)[CH2:15][CH2:16][CH:17]=[CH2:18])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:20][C:21]([S@:24]([NH2:26])=[O:25])([CH3:23])[CH3:22]>C1COCC1.[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC>[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11](/[C:14](=[N:26]\[S@@:24]([C:21]([CH3:23])([CH3:22])[CH3:20])=[O:25])/[CH2:15][CH2:16][CH:17]=[CH2:18])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
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5

반응물 2

HCID 10964479tert-Butylsulfinamide, (R)-(+)-2회HCID 668336681-(1-Benzylpiperidin-4-yl)pent-4-en-1-one

생성물 1

HCID 87173115(NZ,R)-N-[1-(1-benzylpiperidin-4-yl)pent-4-enylidene]-2-methylpropane-2-sulfinamide수율 42.2%

시약·촉매·용매 2

HCID 76524Titanium tetraethoxide촉매2회HCID 8028Tetrahydrofuran
용매

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온도
70 °C

실험 절차

A solution of 1-(1-benzylpiperidin-4-yl)pent-4-en-1-one (6.11 g, 21.3 mmol) and (R)-2-methylpropane-2-sulfinamide (3.62 g, 27.6 mmol) in THF (71 mL, 0.3 M) was treated with titanium (IV) ethoxide (12.6 g, 55.3 mmol) and heated to 70° C. overnight. Because the reaction was incomplete, additional portions of (R)-2-methylpropane-2-sulfinamide (1.81 g, 13.8 mmol) and titanium (IV) ethoxide (6.3 g, 27.7 mmol) were added and the mixture was heated to 75° C. for 6 more hours. The reaction was quenched by pouring it slowly into rapidly stirred saturated aqueous sodium chloride (100 mL) and filtering through Celite. The Celite pad was washed with ethyl acetate (3×) and the combined organics were washed with saturated aqueous sodium chloride, dried over MgSO4, and concentrated in vacuo. The residue was chromatographed on silica gel (60% ethyl acetate in heptane) to afford the desired product (3.24 g, 42%). Rf 0.44 (EtOAc). 1H NMR (CDCl3, 300 MHz) δ 7.34-7.19 (m, 5H), 5.88-5.75 (m, 1H), 5.09-4.94 (m, 2H), 3.50 (d, J=5.5 Hz, 2H), 2.97-2.83 (m, 2H), 2.74-2.70 (m, 1H), 2.55-2.23 (m, 4H), 2.00 (t, J=8.8 Hz, 2H), 1.77-1.63 (m, 4H), 1.23 (s, 9H). ESI MS found for C21H32N2OS m/z [361.4 (M+1)].

후처리

  1. temperaturethe mixture was heated to 75° C. for 6 more hours
  2. customThe reaction was quenched
  3. additionby pouring it slowly into rapidly stirred saturated aqueous sodium chloride (100 mL)
  4. filtrationfiltering through Celite
  5. washThe Celite pad was washed with ethyl acetate (3×)
  6. washthe combined organics were washed with saturated aqueous sodium chloride
  7. dry with materialdried over MgSO4
  8. concentrationconcentrated in vacuo
  9. customThe residue was chromatographed on silica gel (60% ethyl acetate in heptane)

출처 및 근거

ORD 기록
ord-df2ed6e757a54405898879f97e76c754
출처 데이터셋
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09040703B2

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