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Sodium Carbonate → 1,1-Dimethylethyl 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxylate

HRID 1351412
Notes
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Reaction equation

HRID 1351412 reaction equation
[C:1](#[N:6])[CH2:2][CH:3]([CH3:5])[CH3:4].Cl.NO.C(=O)([O-])[O-].[Na+].[Na+].[C:16]([O:20][C:21]([N:23]1[CH2:28][CH2:27][CH:26]([C:29]([OH:31])=O)[CH2:25][CH2:24]1)=[O:22])([CH3:19])([CH3:18])[CH3:17].C([N:35](C(C)C)CC)(C)C.C1CN(C(F)=[N+]2CCCC2)CC1.F[P-](F)(F)(F)(F)F>CO.ClCCl.O>[CH2:2]([C:1]1[N:35]=[C:29]([CH:26]2[CH2:27][CH2:28][N:23]([C:21]([O:20][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:22])[CH2:24][CH2:25]2)[O:31][N:6]=1)[CH:3]([CH3:5])[CH3:4]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

10

Reactant 6

HCID 10340Sodium CarbonateHCID 12244IsovaleronitrileHCID 81531Diisopropylethylamine2×HCID 3928711-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acidHCID 443297Hydroxyamine hydrochlorideHCID 10935980Btffh

Product 1

HCID 21098359
1,1-Dimethylethyl 4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxylate

Reagents, catalysts & solvents 3

HCID 887MethanolSolventHCID 962WaterSolventHCID 6344DichloromethaneSolvent3×

Procedure

Isovaleronitrile (14.1 g, 170 mmol) and hydroxylamine hydrochloride (60 g, 850 mmol) were heated under reflux in methanol (300 ml) and water (300 ml) for 5 hours. The reaction mixture was cooled to room temperature, solid sodium carbonate added cautiously and the mixture filtered. The filtrate was concentrated under reduced pressure and extracted with dichloromethane (3×). The combined organic solutions were washed with water and brine, dried (MgSO4), filtered and concentrated under reduced pressure to give a white solid, 15.5 g. In a separate flask 1-(tert-butoxycarbonyl)4-piperidinecarboxylic acid (250 mg, 1.09 mmol) in dichloromethane (5 ml) was treated with diisopropylethylamine (0.28 ml, 2.70 mmol). Bis(tetramethylene)fluoroformamidinium hexafluorophosphate (413 mg, 1.31 mmol) in dichloromethane (5 ml) was added to the solution and stirred at room temperature for 1 hour. A portion of the intermediate white solid (150 mg, 1.31 mmol) and diisopropylethylamine (0.23 ml, 1.09 mmol) in dichloromethane (2 ml) were added, the resulting solution was stirred at room temperature for 16 hours, then heated to 50° C. to concentrate the solution. Dioxane (10 ml) was added and the solution heated to 120° C. for 3 hours. The reaction was cooled to room temperature, diluted with ethyl acetate, washed with saturated aqueous sodium bicarbonate solution and 1M citric acid solution. The combined organic solutions were dried (MgSO4), filtered and evaporated under reduced pressure. The residue was purified by column chromatography on silica gel, using ethyl acetate: pentane (25:75) as eluant to afford the title compound as an oil, 209 mg.

Workup

  1. filtrationthe mixture filtered
  2. concentrationThe filtrate was concentrated under reduced pressure
  3. extractionextracted with dichloromethane (3×)
  4. washThe combined organic solutions were washed with water and brine
  5. dry with materialdried (MgSO4)
  6. filtrationfiltered
  7. concentrationconcentrated under reduced pressure
  8. customto give a white solid, 15.5 g
  9. stirringthe resulting solution was stirred at room temperature for 16 hours
  10. temperatureheated to 50° C.
  11. concentrationto concentrate the solution
  12. additionDioxane (10 ml) was added
  13. temperaturethe solution heated to 120° C. for 3 hours
  14. temperatureThe reaction was cooled to room temperature
  15. additiondiluted with ethyl acetate
  16. washwashed with saturated aqueous sodium bicarbonate solution and 1M citric acid solution
  17. dry with materialThe combined organic solutions were dried (MgSO4)
  18. filtrationfiltered
  19. customevaporated under reduced pressure
  20. customThe residue was purified by column chromatography on silica gel

Sources & evidence

ORD record
ord-e309cb52104c4292917fb7a7ee9e0966
Source dataset
uspto-grants-2007_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07217714B1

Reaction notes

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