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Water → Indole

HRID 2244631
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Reaction equation

HRID 2244631 reaction equation
FC(F)(F)C1C=C(C2ON=C([C:21]3[CH:29]=[CH:28][CH:27]=[C:26]4[C:22]=3[CH:23]=[CH:24][NH:25]4)N=2)C=CC=1OC(C)C(F)(F)F.[H-].[Na+].C([Si](OCCI)(C)C)(C)(C)C.O>CN(C=O)C>[NH:25]1[C:26]2[C:22](=[CH:21][CH:29]=[CH:28][CH:27]=2)[CH:23]=[CH:24]1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 962WaterHCID 24758Sodium hydrideHCID 11129873tert-Butyl(2-iodoethoxy)dimethylsilaneHCID 592141764-{5-[3-(trifluoromethyl)-4-(2,2,2-trifluoro-1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indole

Product 1

HCID 798IndoleYield 325.5%

Reagents, catalysts & solvents 1

HCID 6228
Dimethylformamide
Solvent

Procedure

In a 50 ml reaction vessel, to a solution of 4-{5-[3-(trifluoromethyl)-4-(2,2,2-trifluoro-1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indole (100 mg) in DMF (1 ml) was added 60% NaH (10.9 mg) at 0° C. The solution was warmed to room temperature, followed by stirring for 0.5 hour. Further, tertiary-butyl (2-iodoethoxy)dimethylsilane was added thereto at 0° C., followed by stirring at room temperature for 15 hours. Completion of the reaction was confirmed by LC-MS, and then the reaction solution was added with water (30 ml). It was extracted three times with EtOAc (20 ml). The organic layer was washed with saturated brine, dried over anhydrous MgSO4, and concentrated under reduced pressure. It was purified by silica gel column chromatography (automatic purifier, n-hexane:EtOAc=100:0 to 90:10) to obtain 1-(2-{[tertiary-butyl(dimethyl)silyl]oxy}ethyl)-4-{5-[3-(trifluoromethyl)-4-2,2,2-trifluoro-1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl}-1H-indole (86.4 mg) as a white solid.

Workup

  1. customIn a 50 ml reaction vessel
  2. customat 0° C.
  3. stirringby stirring at room temperature for 15 hours
  4. extractionIt was extracted three times with EtOAc (20 ml)
  5. washThe organic layer was washed with saturated brine
  6. dry with materialdried over anhydrous MgSO4
  7. concentrationconcentrated under reduced pressure
  8. customIt was purified by silica gel column chromatography (automatic purifier, n-hexane:EtOAc=100:0 to 90:10)

Sources & evidence

ORD record
ord-d291c828b8a749e5aa6ee10dab0cc26a
Source dataset
uspto-grants-2010_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07678820B2

Reaction notes

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