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

HRID 579583
ノート
印刷プレビュー

反応式

HRID 579583 の反応式
[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
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

5

反応物 2

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

生成物 1

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

試薬・触媒・溶媒 2

HCID 76524Titanium tetraethoxide触媒2 回HCID 8028Tetrahydrofuran
溶媒

反応条件

温度
70 °C

実験手順

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)].

後処理

  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)

出典と根拠

ORDレコード
ord-df2ed6e757a54405898879f97e76c754
出典データセット
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09040703B2

反応ノート

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