Acetone → 3-(3,4-Dimethoxyphenyl)-2-methyl-6-oxohexane-3-carbonitrile

HRID 405015Notes

Reaction equation

HRID 405015 reaction equation
[C:1]([OH:6])(=O)[C:2](O)=O.[C:7]([C:9]1([C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[C:21]([O:27][CH3:28])[CH:20]=2)OC(CCC(C)C)CO1)#[N:8].[C:29](=O)([O-])[O-].[K+].[K+].[CH3:35][C:36]([CH3:38])=O>O>[CH3:28][O:27][C:21]1[CH:20]=[C:19]([C:9]([CH:36]([CH3:38])[CH3:35])([CH2:29][CH2:2][CH:1]=[O:6])[C:7]#[N:8])[CH:24]=[CH:23][C:22]=1[O:25][CH3:26]

Participants

6

Conditions

Temperature
80 °C

Procedure

Oxalic acid dehydrate (504.6 mg, 3.96 mmol) was added to a solution of the acetal (19) (372 mg, 1.16 mmol) in acetone (10 mL) and water (10 mL). The resulting mixture was stirred at 80° C. for four hours. The reaction mixture was cooled to room temperature. Potassium carbonate (1.3 g) was added to quench the reaction. The mixture was extracted with ethyl ether (3×20 mL). The organic solution was washed with brine, dried over sodium sulfate, concentrated to afford the crude product (17) (293 mg), which was used in the next step without further purification. The product was confirmed by 1H-NMR spectra.

Workup

  1. temperatureThe reaction mixture was cooled to room temperature
  2. customto quench
  3. customthe reaction
  4. extractionThe mixture was extracted with ethyl ether (3×20 mL)
  5. washThe organic solution was washed with brine
  6. dry with materialdried over sodium sulfate
  7. concentrationconcentrated

Sources & evidence

ORD record
ord-8e15abe2e51e4aeaa373318080326d13
Source dataset
uspto-grants-2014_06
Patent number
US08748648B2

Reaction notes

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