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Acetic Acid → (S)-N,N-dimethyl-1-(2-nitro-4-(trifluoromethyl)phenyl)piperidin-3-amine

HRID 502729
ノート
印刷プレビュー

反応式

HRID 502729 の反応式
N[C@H:2]1[CH2:7][CH2:6][CH2:5][N:4]([C:8](OC(C)(C)C)=O)[CH2:3]1.[C:15]([BH3-])#[N:16].[Na+].[CH3:19]C(O)=O.C=O.Cl.FC1[CH:32]=[CH:31][C:30]([C:33]([F:36])([F:35])[F:34])=[CH:29][C:28]=1[N+:37]([O-:39])=[O:38].C(=O)(O)[O-].[Na+]>CO.O1CCOCC1.O.C1COCC1>[CH3:19][N:16]([CH3:15])[C@H:6]1[CH2:7][CH2:2][CH2:3][N:4]([C:8]2[CH:32]=[CH:31][C:30]([C:33]([F:36])([F:35])[F:34])=[CH:29][C:28]=2[N+:37]([O-:39])=[O:38])[CH2:5]1
参加物実験手順後処理出典と根拠反応ノート

参加物

12

反応物 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 677784-Fluoro-3-nitrobenzotrifluorideHCID 516892Sodium BicarbonateHCID 1501975tert-butyl (3S)-3-aminopiperidine-1-carboxylateHCID 5003444Sodium cyanoborohydride

生成物 1

HCID 16109033(S)-N,N-dimethyl-1-(2-nitro-4-(trifluoromethyl)phenyl)piperidin-3-amine

試薬・触媒・溶媒 4

HCID 887Methanol溶媒HCID 962Water溶媒HCID 8028Tetrahydrofuran溶媒HCID 312751,4-Dioxane溶媒

実験手順

To a light yellow solution of (S)-tert-butyl 3-aminopiperidine-1-carboxylate (0.52 g, 2.6 mmol) in 25 ml MeOH was added sodium cyanoborohydride (0.33 g, 5.2 mmol), AcOH (0.74 ml, 13 mmol), and formaldehyde (37 wt. % solution in water, 1.0 ml). After stirring approximately 12 h, the reaction was quenched by the addition of 5 ml saturated aqueous sodium bicarbonate. The volatile organic solvents were removed in vacuo, and water and EtOAc was added. The organic layer was removed, and the aqueous layer was extracted twice with EtOAc. The combined organic layers were dried with Na2SO4, filtered, and concentrated to give a yellow oil. The resulting material was treated with 4 ml 4N HCl in dioxane at 0° C. After 2 h, the solution was concentrated in vacuo to give a light yellow solid. This solid was treated with 1-Fluoro-2-nitro-4-trifluoromethylbenzene (0.37 ml, 2.6 mmol), sodium bicarbonate (1.0 g, 13 mmol), and 5 ml dry THF. The mixture was heated to 75° C. with a water-cooled reflux condenser for 12 h. The mixture was allowed to cool to ambient temperature, was filtered through a fritted funnel, and concentrated to give the desired product as an orange oil. MS (m/z): 318.0 (M+H)+. Calc'd for C14H18F3N3O2: 317.31.

後処理

  1. customthe reaction was quenched by the addition of 5 ml saturated aqueous sodium bicarbonate
  2. customThe volatile organic solvents were removed in vacuo, and water and EtOAc
  3. additionwas added
  4. customThe organic layer was removed
  5. extractionthe aqueous layer was extracted twice with EtOAc
  6. dry with materialThe combined organic layers were dried with Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated
  9. customto give a yellow oil
  10. waitAfter 2 h
  11. concentrationthe solution was concentrated in vacuo
  12. customto give a light yellow solid
  13. temperaturecooled
  14. temperaturereflux condenser for 12 h
  15. filtrationwas filtered through a fritted funnel
  16. concentrationconcentrated

出典と根拠

ORDレコード
ord-4b63906bde7f4eac80f70386002f28b6
出典データセット
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07776869B2

反応ノート

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