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Lithium tri-s-butylborohydride → (S)-N-((R)-4-(3,4-dichlorophenyl)butan-2-yl)-2-methylpropane-2-sulfinamide

HRID 1844421
ノート
印刷プレビュー

反応式

HRID 1844421 の反応式
CC([S@@](N)=O)(C)C.ClC1C=C(CCC(=O)C)C=CC=1Cl.[Cl:21][C:22]1[CH:23]=[C:24]([CH2:29][CH2:30]/[C:31](=[N:33]/[S@:34]([C:36]([CH3:39])([CH3:38])[CH3:37])=[O:35])/[CH3:32])[CH:25]=[CH:26][C:27]=1[Cl:28].CCC(C)[BH-](C(C)CC)C(C)CC.[Li+]>C1COCC1.C(=O)=O.C(O[Ti](OCC)(OCC)OCC)C.CO>[Cl:21][C:22]1[CH:23]=[C:24]([CH2:29][CH2:30][C@H:31]([NH:33][S@:34]([C:36]([CH3:37])([CH3:39])[CH3:38])=[O:35])[CH3:32])[CH:25]=[CH:26][C:27]=1[Cl:28]
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

9

反応物 4

HCID 3611392Lithium tri-s-butylborohydrideHCID 11355477tert-Butylsulfinamide, (S)-(-)-2 回HCID 242613834-(3,4-Dichlorophenyl)butan-2-oneHCID 89491175(NE,S)-N-[4-(3,4-dichlorophenyl)butan-2-ylidene]-2-methylpropane-2-sulfinamide

生成物 1

HCID 86731088(S)-N-((R)-4-(3,4-dichlorophenyl)butan-2-yl)-2-methylpropane-2-sulfinamide収率 59.6%

試薬・触媒・溶媒 4

HCID 178477244HCID 178477244、化合物触媒HCID 280Carbon Dioxide溶媒HCID 887Methanol溶媒HCID 8028Tetrahydrofuran溶媒2 回

反応条件

温度
75 °C

実験手順

To a stirred solution of (S)-2-methylpropane-2-sulfinamide (373 mg, 3.08 mmol) and 4-(3,4-dichlorophenyl)butan-2-one (700 mg, 3.22 mmol) in THF (2 mL) at rt was added tetraethoxytitanium (1.22 mL, 5.86 mmol). The reaction mixture was heated at 75° C. overnight, and allowed to cool and stay at rt for 72 h. Another equivalent of Ti(OEt)4 (1.22 mL, 5.86 mmol) and (S)-2-methylpropane-2-sulfinamide (373 mg, 3.08 mmol) were added. The reaction mixture was heated at 75° C. overnight. The THF solution of (S,E)-N-(4-(3,4-dichlorophenyl)butan-2-ylidene)-2-methylpropane-2-sulfinamide (1033 mg, 3.23 mmol) was stirred in a round-bottomed flask under argon at −40 to −50° C. L-Selectride (2016 μL, 2.016 mmol) was added dropwise. The resulting mixture was then warmed up to 0° C. during a 1.5 h period and LC-MS showed the completion of the reaction. It was cooled in dry ice and MeOH was added dropwise until gas evolution stopped. The mixture was stirred at rt for 20 min. It was filtered through Celite® and rinsed with CH2Cl2 and the filtrate was washed with brine (2×) and dried over Na2SO4, filtered and concentrated. The residue was purified on ISCO flash chromatography (0-100% hexanes/EtOAc) to give (S)-N-((R)-4-(3,4-dichlorophenyl)butan-2-yl)-2-methylpropane-2-sulfinamide (620 mg, 1.924 mmol, 59.6% yield) as slightly tan viscous oil (slow eluent) and an impure (S)-N-((S)-4-(3,4-dichlorophenyl)butan-2-yl)-2-methylpropane-2-sulfinamide. LC-MS (ESI) m/z 322.0 (M+H), RT=2.34 min (Method B).

後処理

  1. temperatureto cool
  2. temperatureThe reaction mixture was heated at 75° C. overnight
  3. temperatureThe resulting mixture was then warmed up to 0° C. during a 1.5 h period
  4. customthe completion of the reaction
  5. filtrationIt was filtered through Celite®
  6. washrinsed with CH2Cl2
  7. washthe filtrate was washed with brine (2×)
  8. dry with materialdried over Na2SO4
  9. filtrationfiltered
  10. concentrationconcentrated
  11. customThe residue was purified on ISCO flash chromatography (0-100% hexanes/EtOAc)

出典と根拠

ORDレコード
ord-5e600dac42fa48e8ad6f2f781a26d225
出典データセット
uspto-grants-2015_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08946430B2

反応ノート

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