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Acetic Acid → 4-[(2S,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile

HRID 1967369
Notes
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Reaction equation

HRID 1967369 reaction equation
[CH:1](NC(C)C)(C)C.[OH:8][C@H:9]1[CH2:13][C:12](=[O:14])[N:11]([C:15]2[CH:22]=[CH:21][C:18]([C:19]#[N:20])=[C:17]([C:23]([F:26])([F:25])[F:24])[CH:16]=2)[C@H:10]1[CH3:27].IC.C(O)(=O)C>C1COCC1.O>[OH:8][C@H:9]1[C@H:13]([CH3:1])[C:12](=[O:14])[N:11]([C:15]2[CH:22]=[CH:21][C:18]([C:19]#[N:20])=[C:17]([C:23]([F:26])([F:24])[F:25])[CH:16]=2)[C@H:10]1[CH3:27]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 176Acetic AcidHCID 6328Methyl iodideHCID 7912DiisopropylamineHCID 595569424-[(2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Product 1

HCID 595568694-[(2S,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrileYield 63.7%

Reagents, catalysts & solvents

2
HCID 962WaterSolventHCID 8028TetrahydrofuranSolvent2×

Conditions

Temperature
-78 °C

Procedure

A solution of diisopropylamine (0.860 mL) in THF (30 mL) was cooled to −78° C., and n-butyllithium-hexane solution (3.64 mL, 1.6 mol/L) was added dropwise. After the completion of the dropwise addition, the mixture was stirred at −78° C. for 1 hr. Subsequently, a solution of 4-[(2S,3S)-3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile (661 mg) in THF (5.0 mL) was added dropwise, and the mixture was further stirred at −78° C. for 1 hr. Iodomethane (0.75 mL) was added dropwise at −78° C., and the mixture was further stirred at −78° C. for 1 hr. Acetic acid (3.0 mL) was added to the reaction mixture, and the mixture was warmed to room temperature. Water was added, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=10/1→1/3) to give the title compound as a colorless solid (yield: 442.9 mg, 63.7%).

Workup

  1. additionn-butyllithium-hexane solution (3.64 mL, 1.6 mol/L) was added dropwise
  2. additionAfter the completion of the dropwise addition
  3. stirringthe mixture was further stirred at −78° C. for 1 hr
  4. stirringthe mixture was further stirred at −78° C. for 1 hr
  5. temperaturethe mixture was warmed to room temperature
  6. extractionthe mixture was extracted with ethyl acetate
  7. washThe extract was washed with saturated brine
  8. dry with materialdried over anhydrous magnesium sulfate
  9. concentrationconcentrated under reduced pressure
  10. customThe residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=10/1→1/3)

Sources & evidence

ORD record
ord-a6f5fc96f1da42a88ad3cbf563847371
Source dataset
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08420694B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes