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Cesium carbonate → cis-3,5-Dimethyl-1-[2-(methyloxy)-5-nitrophenyl]piperazine

HRID 130397
ノート
印刷プレビュー

反応式

HRID 130397 の反応式
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.Br[C:54]1[CH:59]=[C:58]([N+:60]([O-:62])=[O:61])[CH:57]=[CH:56][C:55]=1[O:63][CH3:64].[CH3:65][C@H:66]1[CH2:71][NH:70][CH2:69][C@@H:68]([CH3:72])[NH:67]1>O1CCCC1.C(OCC)(=O)C.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:65][C@H:66]1[NH:67][C@@H:68]([CH3:72])[CH2:69][N:70]([C:54]2[CH:59]=[C:58]([N+:60]([O-:62])=[O:61])[CH:57]=[CH:56][C:55]=2[O:63][CH3:64])[CH2:71]1
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 10796Cesium carbonateHCID 788702-Bromo-4-nitroanisoleHCID 634876Binap, (A+-)-HCID 6950261rel-(2R,6S)-2,6-dimethylpiperazine

生成物 1

HCID 59007077cis-3,5-Dimethyl-1-[2-(methyloxy)-5-nitrophenyl]piperazine

試薬・触媒・溶媒 3

HCID 167845
palladium(II) acetate
触媒
HCID 8028Tetrahydrofuran溶媒2 回
HCID 8857Ethyl Acetate溶媒

実験手順

Cesium carbonate (9.77 g, 30 mmol), palladium (II) acetate (448 mg, 2 mmol) and rac-2,2′-bis(diphenylphosphino)-1,1′-binapthyl (1.87 g, 3 mmol) were stirred under an inert atmosphere in tetrahydrofuran (40 ml) for 30 minutes. 2-Bromo-4-nitroanisole (4.64 g, 20 mmol) and cis-2,6-dimethylpiperazine (6.85 g, 60 mmol) in tetrahydrofuran (20 ml) was added and the mixture heated at reflux for 24 hours. After cooling to room temperature the reaction mixture was diluted with ethyl acetate and extracted with 2N hydrochloric acid (×3). The aqueous extract was stirred with ethyl acetate and activated charcoal, filtered through celite. The aqueous component of the filtrate was separated and the pH of the solution was adjusted to pH 7 with 50% potassium hydroxide solution and the solution evaporated in vacuo to a small volume. The residue was basified to pH 10 with 50% potassium hydroxide solution and extracted with dichloromethane (×3). The combined organic extracts were washed with saturated brine, dried over anhydrous sodium sulfate and concentrated in vacuo to afford the title product (D1). MS (ES+) m/e 266 [M+H]+.

後処理

  1. temperaturethe mixture heated
  2. temperatureat reflux for 24 hours
  3. extractionextracted with 2N hydrochloric acid (×3)
  4. extractionThe aqueous extract
  5. filtrationfiltered through celite
  6. customThe aqueous component of the filtrate was separated
  7. customthe solution evaporated in vacuo to a small volume
  8. extractionextracted with dichloromethane (×3)
  9. washThe combined organic extracts were washed with saturated brine
  10. dry with materialdried over anhydrous sodium sulfate
  11. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-6d92d0e683b643f7adf8a5f3a68a5fca
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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