HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Dabco → 6-Ethyl-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

HRID 2095855
Notes
Print preview

Reaction equation

HRID 2095855 reaction equation
[C:1]([CH2:3][C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([F:13])=[CH:9][CH:8]=1)=[O:5])#[N:2].N12CCN(CC1)CC2.CO/[CH:24]=[CH:25]/[C:26](=O)[CH2:27][CH3:28]>COCCO.Cl.C(OCC)(=O)C>[CH2:27]([C:26]1[N:6]([C:7]2[CH:8]=[CH:9][C:10]([F:13])=[CH:11][CH:12]=2)[C:4](=[O:5])[C:3]([C:1]#[N:2])=[CH:24][CH:25]=1)[CH3:28]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 3

HCID 9237DabcoHCID 6931482-Cyano-N-(4-fluorophenyl)acetamideHCID 10877086(1E)-1-methoxypent-1-en-3-one

Product 1

HCID 669688016-Ethyl-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrileYield 16%

Reagents, catalysts & solvents 3

HCID 313Hydrochloric AcidSolvent
HCID 8019
2-Methoxyethanol
Solvent
HCID 8857Ethyl AcetateSolvent

Conditions

Temperature
120 °C

Procedure

To a solution of 2-cyano-N-(4-fluorophenyl)acetamide (1.7 g, 10.6 mmol) in dimethyleneglycol monomethylether (20 mL) were added 1,4-diazabicyclo[2.2.2]octane (1.2 g, 10.6 mmol) and (1E)-1-methoxypent-1-en-3-one (1.82 g, 15.9 mmol), and the mixture was stirred at 120° C. for 12 hr. The reaction mixture was diluted with 1N hydrochloric acid and ethyl acetate, and extracted 3 times with ethyl acetate. The organic layer was washed with saturated brine, dried over anhydrous magnesium sulfate and filtered. The solvent was evaporated under reduced pressure. The obtained residue was purified by silica gel column chromatography (NH silica gel, ethyl acetate/hexane=50/50→100/0) to give a white solid. The white solid was washed with ethyl acetate to give the title compound (410 mg, 16%) as a white solid.

Workup

  1. extractionextracted 3 times with ethyl acetate
  2. washThe organic layer was washed with saturated brine
  3. dry with materialdried over anhydrous magnesium sulfate
  4. filtrationfiltered
  5. customThe solvent was evaporated under reduced pressure
  6. customThe obtained residue was purified by silica gel column chromatography (NH silica gel, ethyl acetate/hexane=50/50→100/0)
  7. customto give a white solid
  8. washThe white solid was washed with ethyl acetate

Sources & evidence

ORD record
ord-e9d61412a01d4ae6bd791e39aac30715
Source dataset
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08445509B2

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes