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Diethyl Oxalate → Ethyl(3-fluoro-2-iodopyridin-4-yl)oxoacetate

HRID 895156
Notes
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Reaction equation

HRID 895156 reaction equation
C([Li])CCC.C(N[CH:10]([CH3:12])[CH3:11])(C)C.[F:13][C:14]1C=NC=C[C:19]=1[I:20].[C:21]([O:28][CH2:29][CH3:30])(=[O:27])[C:22]([O:24]CC)=O.[Cl-].[NH4+:32]>O1CCCC1>[F:13][C:14]1[C:19]([I:20])=[N:32][CH:12]=[CH:10][C:11]=1[C:22](=[O:24])[C:21]([O:28][CH2:29][CH3:30])=[O:27]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 5

HCID 7268Diethyl OxalateHCID 7912DiisopropylamineHCID 25517Ammonium ChlorideHCID 109986363-Fluoro-4-IodopyridineHCID 178418339Butyllithium

Product 1

HCID 86600101Ethyl(3-fluoro-2-iodopyridin-4-yl)oxoacetate

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent3×

Conditions

Temperature
0 °C

Procedure

n-Butyllithium (1.59M in hexane) (1.75 ml, 2.78 mmol) was added to a solution of diisopropylamine (390 μl, 2.78 mmol) in tetrahydrofuran (10 ml) at −78° C., and the mixture was warmed up to 0° C., then stirred for 30 minutes. The mixture was again cooled down to −78° C. A solution of 3-fluoro-4-iodopyridine (500 mg, 2.24 mmol) synthesized by the method of P. Rocca et. al. (Tetrahedron 49,49-64(1993)) in tetrahydrofuran (4 ml) was added to said mixture, and the resulting mixture was stirred for 1.5 hours. The reaction mixture was dropwise added to a solution of diethyl oxalate (900 μl, 6.63 mmol) in tetrahydrofuran (10 ml) at −78° C. under stirring. The mixture was warmed up to room temperature and stirred for 20 minutes. Aqueous ammonium chloride was added to the reaction mixture, and the mixture was extracted with chloroform. The extract was dried over anhydrous magnesium sulfate, and concentrated in vacuo. The residue was purified by silica gel column chromatography (hexane:ethyl acetate, 3:2) to give the title compound (659 mg).

Workup

  1. temperatureThe mixture was again cooled down to −78° C
  2. stirringthe resulting mixture was stirred for 1.5 hours
  3. stirringunder stirring
  4. temperatureThe mixture was warmed up to room temperature
  5. stirringstirred for 20 minutes
  6. extractionthe mixture was extracted with chloroform
  7. dry with materialThe extract was dried over anhydrous magnesium sulfate
  8. concentrationconcentrated in vacuo
  9. customThe residue was purified by silica gel column chromatography (hexane:ethyl acetate, 3:2)

Sources & evidence

ORD record
ord-7be70e677c5a4bd2b6be9e2418aa1892
Source dataset
uspto-grants-2005_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06914062B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes