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Methane → cis-3,5-Dimethyl-1-{3-nitro-4-[(phenylmethyl)oxy]phenyl}piperazine

HRID 130428
ノート
印刷プレビュー

反応式

HRID 130428 の反応式
Br[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[C:4]([N+:16]([O-:18])=[O:17])[CH:3]=1.[CH3:19][C@H:20]1[CH2:25][NH:24][CH2:23][C@@H:22]([CH3:26])[NH:21]1.C(=O)([O-])[O-].[Cs+].[Cs+].C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C>O1CCOCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:19][C@H:20]1[NH:21][C@@H:22]([CH3:26])[CH2:23][N:24]([C:2]2[CH:7]=[CH:6][C:5]([O:8][CH2:9][C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=3)=[C:4]([N+:16]([O-:18])=[O:17])[CH:3]=2)[CH2:25]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

8

反応物 5

HCID 297MethaneHCID 10796Cesium carbonateHCID 634876Binap, (A+-)-HCID 6950261rel-(2R,6S)-2,6-dimethylpiperazineHCID 112782421-(Benzyloxy)-4-bromo-2-nitrobenzene

生成物 1

HCID 69197192cis-3,5-Dimethyl-1-{3-nitro-4-[(phenylmethyl)oxy]phenyl}piperazine

試薬・触媒・溶媒 2

HCID 167845palladium(II) acetate触媒HCID 312751,4-Dioxane溶媒

反応条件

温度
100 °C

実験手順

To a solution of 4-bromo-2-nitro-1-[(phenylmethyl)oxy]benzene (7.0 g, 22.7 mmol) in dioxane (120 ml) was added cis-2,6-dimethylpiperazine (7.8 g, 67.4 mmol) followed by cesium carbonate (11.0 g, 33.8 mmol), rac-2,2′-bis(diphenylphosphino)-1,1′-binapthyl (2.1 g, 3.4 mmol) and palladium acetate (516 mg, 2.3 mmol). The resulting mixture was heated at 100° C. under an atmosphere of argon overnight. The mixture was allowed to cool, charcoal was added and the mixture stirred at room temperature for 30 minutes. The solids were then removed by filtration through celite and the residue washed with ethyl acetate. The filtrate was then reduced in vacuo and the residue dissolved in 2M aqueous hydrochloric acid and ethyl acetate added. A yellow solid formed that was immiscible in both phases so the mixture was filtered and the solid washed with ethyl acetate. The biphasic filtrate was then separated and the aqueous layer washed with more ethyl acetate. The aqueous was then basified with 0.880 ammonia and the yellow solid collected by filtration added. The resulting basified aqueous solution was then extracted with dichloromethane (×2) and the combined dichloromethane layers dried over anhydrous magnesium sulfate, filtered and reduced in vacuo. The residue was then purified by chromatography on silica gel (gradient 0 to 15% methanol in dichloromethane) to afford the title product. MS (ES+) m/e 342 [M+H]+.

後処理

  1. temperatureto cool
  2. customThe solids were then removed by filtration through celite
  3. washthe residue washed with ethyl acetate
  4. dissolutionthe residue dissolved in 2M aqueous hydrochloric acid
  5. additionethyl acetate added
  6. customA yellow solid formed that
  7. filtrationwas filtered
  8. washthe solid washed with ethyl acetate
  9. customThe biphasic filtrate was then separated
  10. washthe aqueous layer washed with more ethyl acetate
  11. filtrationthe yellow solid collected by filtration
  12. additionadded
  13. extractionThe resulting basified aqueous solution was then extracted with dichloromethane (×2)
  14. dry with materialthe combined dichloromethane layers dried over anhydrous magnesium sulfate
  15. filtrationfiltered
  16. customThe residue was then purified by chromatography on silica gel (gradient 0 to 15% methanol in dichloromethane)

出典と根拠

ORDレコード
ord-9a581edf7b544b3683c928bf91a67bfa
出典データセット
uspto-grants-2008_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07381728B2

反応ノート

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