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Hexamethyldisilazane → 5-(5-(4-Bromo-3-fluorophenyl)-4-ethyl-3-trifluoromethyl-1H-pyrazol-1-yl)-2-pyridinesulfonamide

HRID 394890
Notes
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Reaction equation

HRID 394890 reaction equation
C[Si](C)(C)N[Si](C)(C)C.C([Li])CCC.BrC1C=CC(C(=O)CCC)=CC=1F.FC(F)(F)C(N1C=CN=C1)=O.[Br:39][C:40]1[CH:45]=[CH:44][C:43]([C:46](=O)[CH:47]([CH2:54][CH3:55])[C:48](=O)[C:49]([F:52])([F:51])[F:50])=[CH:42][C:41]=1[F:57].Cl.[NH:59]([C:61]1[CH:62]=[CH:63][C:64]([S:67]([NH2:70])(=[O:69])=[O:68])=[N:65][CH:66]=1)[NH2:60]>O1CCCC1.C(O)C>[Br:39][C:40]1[CH:45]=[CH:44][C:43]([C:46]2[N:59]([C:61]3[CH:62]=[CH:63][C:64]([S:67]([NH2:70])(=[O:69])=[O:68])=[N:65][CH:66]=3)[N:60]=[C:48]([C:49]([F:52])([F:51])[F:50])[C:47]=2[CH2:54][CH3:55])=[CH:42][C:41]=1[F:57]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

9

Reactant 6

HCID 13838HexamethyldisilazaneHCID 737671-(Trifluoroacetyl)imidazoleHCID 223138021-(4-Bromo-3-fluorophenyl)-2-ethyl-4,4,4-trifluoro-1,3-butanedioneHCID 223138295-Hydrazino-2-pyridinesulfonamide hydrochlorideHCID 223138401-(4-Bromo-3-fluorophenyl)butan-1-oneHCID 178418339Butyllithium

Product 1

HCID 223137915-(5-(4-Bromo-3-fluorophenyl)-4-ethyl-3-trifluoromethyl-1H-pyrazol-1-yl)-2-pyridinesulfonamideYield 75.6%

Reagents, catalysts & solvents 2

HCID 702EthanolSolventHCID 8028TetrahydrofuranSolvent2×

Procedure

To a stirred solution of hexamethyldisilazane (2.5 ml, 11.75 mmol) in tetrahydrofuran (25 ml) was added n-butyllithium (7.5 ml, 11.75 mmol) dropwise at 0° C. under nitrogen. The reaction mixture was stirred at room temperature for 30 min. Then cooled to −78° C., to the mixture was added a solution of 1-(4-bromo-3-fluorophenyl)-1-butanone (2.4 g, 9.79 mmol) in tetrahydrofuran (12 ml) dropwise and stirred at rt for 1 h. Then 1-trifluoroacetylimidazole (1.3 ml, 11.75 mmol) was added to the mixture at same temperature, the mixture was stirred at rt for 5 h. This was quenched by water and the pH was adjusted to pH 4-5, extracted with ethyl acetate. The extracts was dried (MgSO4) and concentrated. This was purified on silica gel eluting with ethyl acetate/hexane (1:20/1:15) to afford 2.7 g (80.9%) as a yellow oil. A mixture of 1-(4-bromo-3-fluorophenyl)-2-ethyl-4,4,4-trifluoro-1,3-butanedione (1.5 g, 4.40 mmol) and 5-hydrazino-2-pyridinesulfonamide hydrochloride (1.28 g, 5.72 mmol) in ethanol (60 ml) was stirred at reflux for 3 h. After cooling, the solvent was removed and the residue was diluted with ethyl acetate, washed with water. The extracts was dried (MgSO4) and concentrated. This was purified on silica gel eluting with ethyl acetate/hexane (1:10/1:5/1:4) to afford 1.64 g (75.6%) of the titled compound as a white amorphous.

Workup

  1. temperatureThen cooled to −78° C., to the mixture
  2. stirringstirred at rt for 1 h
  3. stirringthe mixture was stirred at rt for 5 h
  4. customThis was quenched by water
  5. extractionextracted with ethyl acetate
  6. dry with materialThe extracts was dried (MgSO4)
  7. concentrationconcentrated
  8. customThis was purified on silica gel eluting with ethyl acetate/hexane (1:20/1:15)
  9. customto afford 2.7 g (80.9%) as a yellow oil
  10. stirringwas stirred
  11. temperatureat reflux for 3 h
  12. temperatureAfter cooling
  13. customthe solvent was removed
  14. additionthe residue was diluted with ethyl acetate
  15. washwashed with water
  16. dry with materialThe extracts was dried (MgSO4)
  17. concentrationconcentrated
  18. customThis was purified on silica gel eluting with ethyl acetate/hexane (1:10/1:5/1:4)

Sources & evidence

ORD record
ord-30d6cd41fc3e4a6aa0cc345b18bb3208
Source dataset
uspto-grants-2003_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06603008B1

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes