Hydrogen iodide → 2-Iodo-4-[4-(trifluoromethyl)phenyl]pyrimidine
Reaction equation
Cl[C:2]1[N:7]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([C:14]([F:17])([F:16])[F:15])=[CH:10][CH:9]=2)[CH:5]=[CH:4][N:3]=1.[IH:18]>ClCCl>[I:18][C:2]1[N:7]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([C:14]([F:17])([F:16])[F:15])=[CH:10][CH:9]=2)[CH:5]=[CH:4][N:3]=1Participants
Reactant 2
Product 1
Reagents, catalysts & solvents 1
Procedure
2-Chloro-4-[4-(trifluoromethyl)phenyl]pyrimidine (which may be prepared as described in Description 5) (1.22 g, 4.72 mmol) was added portionwise to HI (57% in water) (4.98 mL, 37.74 mmol) at 0° C. and the dark mixture was stirred for 40 mins. Dichloromethane (5 mL) was added and the resultant light brown mixture was stirred at 0° C. for 18.25 hrs. Additional dichloromethane (5 mL) was added followed by HI (57% in water) (1.87 mL, 14.15 mmol) and vigorous stirring was continued at 0° C. for a further 18 hrs. The mixture was quenched by the addition of satd. aq. K2CO3 (care: gas evolved). After basification, satd. sodium metabisulphite was added and stirring was continued for 5 mins. The mixture was diluted with further DCM and the phases were separated. The organic layer was dried (Na2SO4) and the solvent evaporated to afford the 2-iodo-4-[4-(trifluoromethyl)phenyl]pyrimidine (D6) (1.57 g, 4.48 mmol, 95.1% yield) as a yellow solid.
Workup
- stirringthe resultant light brown mixture was stirred at 0° C. for 18.25 hrs
- stirringvigorous stirring
- waitwas continued at 0° C. for a further 18 hrs
- customThe mixture was quenched by the addition of satd
- additionsodium metabisulphite was added
- stirringstirring
- waitwas continued for 5 mins
- additionThe mixture was diluted with further DCM
- customthe phases were separated
- dry with materialThe organic layer was dried (Na2SO4)
- customthe solvent evaporated
Sources & evidence
- ORD record
- ord-21d29955386d4d9bb69c280d12e30917
- Source dataset
- uspto-grants-2016_04
- Patent number
- US09309254B2
Reaction notes
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