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Nitrogen → 2-(4-Tert-butyl-2-1,3-dioxinan-2-yl-6-fluoro-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole

HRID 2069852
ノート
印刷プレビュー

反応式

HRID 2069852 の反応式
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[O:12][CH2:13][C:14]([CH3:17])([CH3:16])[N:15]=2)=[C:7]([CH:18]2[O:23][CH2:22][CH2:21][CH2:20][O:19]2)[CH:6]=1)([CH3:4])([CH3:3])[CH3:2].N#N.C([Li])CCC.C1C=CC(S(N(S(C2C=CC=CC=2)(=O)=O)[F:41])(=O)=O)=CC=1.[NH4+].[Cl-]>CCCCCC.C1COCC1.CCOCC>[C:1]([C:5]1[CH:10]=[C:9]([F:41])[C:8]([C:11]2[O:12][CH2:13][C:14]([CH3:17])([CH3:16])[N:15]=2)=[C:7]([CH:18]2[O:23][CH2:22][CH2:21][CH2:20][O:19]2)[CH:6]=1)([CH3:2])([CH3:3])[CH3:4]
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 5

HCID 947NitrogenHCID 25517Ammonium ChlorideHCID 588007N-FluorobenzenesulfonimideHCID 594738142-(4-(tert-Butyl)-2-(1,3-dioxan-2-yl)phenyl)-4,4-dimethyl-4,5-dihydrooxazoleHCID 178418339Butyllithium

生成物 1

HCID 594737622-(4-Tert-butyl-2-1,3-dioxinan-2-yl-6-fluoro-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole
収率 36.2%

試薬・触媒・溶媒 3

HCID 3283Diethyl Ether溶媒HCID 8028Tetrahydrofuran溶媒2 回HCID 8058Hexane溶媒

反応条件

温度
-78 °C

実験手順

A 200 mL round bottom flask containing 4.92 g (15.5 mmol) of vacuum-dried 2-(4-tert-butyl-2-1,3-dioxinan-2-yl-phenyl)-4,4-dimethyl-4,5-dihydro-oxazole was fitted with a stir bar, septum, and nitrogen inlet. Established and maintained N2 atmosphere. Added 100 mL of anhydrous THF. Cooled the solution to −78° C. Stirred rapidly and added 7.5 mL (19 mmol) of a 2.5 M solution of n-butyllithium in hexane dropwise over 5 minutes. Stirred the clear yellow solution at −17° C. for 3 hr. The solution became a deep red-orange color. Cooled the solution to −78° C. Stirred rapidly and added 5.89 g (18.7 mmol) of N-fluorobenzenesulfonimide dissolved in 30 mL anhydrous THF dropwise over 10 min. Stirred the reaction mixture at −78° C. for 5 min. Stirred at −20° C. for 30 min. Stirred at room temperature for 1 h. Poured the reaction mixture into 150 mL of 50% saturated aqueous NH4Cl and 300 mL Et2O. Separated phases and washed the organic phase with 150 mL water and 150 mL brine. Dried over Na2SO4 and removed the solvent on rotavap. Purified by silica gel flash chromatography using isocratic elution with 25% EtOAc/CH2Cl2. Recrystallized the isolated product from hexane to obtain 1.88 g of the title compound as light amber crystals. MS (ESI) 336 (M+H)+.

後処理

  1. customwas fitted with a stir bar
  2. stirringStirred the clear yellow solution at −17° C. for 3 hr
  3. temperatureCooled the solution to −78° C
  4. stirringStirred rapidly
  5. stirringStirred the reaction mixture at −78° C. for 5 min
  6. stirringStirred at −20° C. for 30 min
  7. stirringStirred at room temperature for 1 h
  8. washSeparated phases and washed the organic phase with 150 mL water and 150 mL brine
  9. dry with materialDried over Na2SO4
  10. customremoved the solvent on rotavap
  11. customPurified by silica gel flash chromatography
  12. washelution with 25% EtOAc/CH2Cl2
  13. customRecrystallized the isolated product from hexane

出典と根拠

ORDレコード
ord-b05c14c16f1a4f649936c236cf069e4b
出典データセット
uspto-grants-2012_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08299077B2

反応ノート

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