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Hydrochloric Acid → 4-Dimethylamino-4-(3-fluorophenyl)cyclohexanecarbaldehyde

HRID 2063714
Notes
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Reaction equation

HRID 2063714 reaction equation
[H-].[Na+].[Cl-].[CH3:4][O:5]C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[CH3:26][N:27]([CH3:42])[C:28]1([C:35]2[CH:40]=[CH:39][CH:38]=[C:37]([F:41])[CH:36]=2)[CH2:33][CH2:32][C:31](=O)[CH2:30][CH2:29]1.Cl>O1CCCC1.CN(C)C=O>[CH3:26][N:27]([CH3:42])[C:28]1([C:35]2[CH:40]=[CH:39][CH:38]=[C:37]([F:41])[CH:36]=2)[CH2:33][CH2:32][CH:31]([CH:4]=[O:5])[CH2:30][CH2:29]1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 24758Sodium hydrideHCID 2723798Methoxymethyl-triphenylphosphonium chlorideHCID 574751114-(Dimethylamino)-4-(3-fluorophenyl)cyclohexan-1-one

Product 1

HCID 866346814-Dimethylamino-4-(3-fluorophenyl)cyclohexanecarbaldehyde

Reagents, catalysts & solvents 2

HCID 6228
Dimethylformamide
Solvent
2×
HCID 8028TetrahydrofuranSolvent2×

Procedure

A 60% dispersion of sodium hydride in mineral oil (254 mg, 6.36 mmol) was added to a suspension of methoxymethyltriphenylphosphonium chloride (2.18 g, 6.36 mmol) in anhydrous tetrahydrofuran (5 ml) and anhydrous N,N-dimethylformamide (5 ml) under argon. The mixture was stirred at room temperature for 2 h. A solution of 4-dimethylamino-4-(3-fluorophenyl)cyclohexanone (1.0 g, 4.24 mmol) in anhydrous tetrahydrofuran (5 ml) and anhydrous N,N-dimethylformamide (5 ml) was then added dropwise in the course of 30 min and the mixture was stirred at room temperature overnight. 2 M hydrochloric acid (25 ml) was then added dropwise, while cooling with ice, and the mixture was stirred at room temperature for 5 h. Thereafter, the mixture was extracted with ethyl acetate (5×20 ml) and diethyl ether (3×20 ml). The aqueous phase was adjusted to pH 11 with 4 M sodium hydroxide solution and extracted with ethyl acetate (4×20 ml). The combined organic extracts from the alkaline solution were dried with sodium sulfate and concentrated i. vac.

Workup

  1. stirringthe mixture was stirred at room temperature overnight
  2. temperaturewhile cooling with ice
  3. stirringthe mixture was stirred at room temperature for 5 h
  4. extractionThereafter, the mixture was extracted with ethyl acetate (5×20 ml) and diethyl ether (3×20 ml)
  5. extractionextracted with ethyl acetate (4×20 ml)
  6. dry with materialThe combined organic extracts from the alkaline solution were dried with sodium sulfate
  7. concentrationconcentrated i

Sources & evidence

ORD record
ord-1f0495ec445b434088db7cabc70807a6
Source dataset
uspto-grants-2012_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08288406B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes