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Imidazole → Pyrimidine, 2-(1,1-difluoro-2-iodoethyl)-

HRID 1171070
Notes
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Reaction equation

HRID 1171070 reaction equation
[F:1][C:2]([F:11])([C:5]1[N:10]=[CH:9][CH:8]=[CH:7][N:6]=1)[CH2:3]O.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.N1C=CN=C1.[I:36]I>C1(C)C=CC=CC=1.CC#N>[F:1][C:2]([C:5]1[N:10]=[CH:9][CH:8]=[CH:7][N:6]=1)([F:11])[CH2:3][I:36]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 795ImidazoleHCID 807IodineHCID 11776TriphenylphosphineHCID 589729572-Pyrimidineethanol, beta,beta-difluoro-

Product 1

HCID 58973005Pyrimidine, 2-(1,1-difluoro-2-iodoethyl)-Yield 73%

Reagents, catalysts & solvents 2

HCID 1140
Toluene
Solvent
HCID 6342AcetonitrileSolvent

Conditions

Temperature
0 °C

Procedure

A homogeneous solution of 2,2-difluoro-2-pyrimidin-2-yl-ethanol (689 mg, 4.31 mmol), as prepared in the previous step, PPh3 (1.69 g, 6.44 mmol), and imidazole (590 mg, 8.67 mmol) in toluene (5.8 mL) and CH3CN (2.9 mL) was stirred at 0° C. for 5 min, and was then treated with I2 (1.61 g, 6.34 mmol) in two portions and stirred at 0° C. for another 5 min. The resulting brown opaque slurry was then heated at 90° C. for 19 h, and then allowed to cool to rt. The mixture was filtered, the beige filter cake was washed with toluene (3×10 mL), and the combined brown filtrates were concentrated. Silica flash chromatography of the residue (2:1 hex/EtOAc eluent) afforded the title compound as a pale yellow oil (849 mg, 73%).

Workup

  1. stirringstirred at 0° C. for another 5 min
  2. temperatureThe resulting brown opaque slurry was then heated at 90° C. for 19 h
  3. temperatureto cool to rt
  4. filtrationThe mixture was filtered
  5. washthe beige filter cake was washed with toluene (3×10 mL)
  6. concentrationthe combined brown filtrates were concentrated

Sources & evidence

ORD record
ord-2a5d9b66031e426f860c36afcf83578d
Source dataset
uspto-grants-2010_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07829584B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes