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Ethanol → HCID 67261454, compound

HRID 2404869
Notes
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Reaction equation

HRID 2404869 reaction equation
[C:1]([C:5]1[C:13]2[C:8](=[CH:9][C:10]([N+:18]([O-])=O)=[C:11]([C:14]([F:17])([F:16])[F:15])[CH:12]=2)[NH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].O.O.Cl[Sn]Cl.C(O)C>CCOC(C)=O>[C:1]([C:5]1[C:13]2[C:8](=[CH:9][C:10]([NH2:18])=[C:11]([C:14]([F:15])([F:16])[F:17])[CH:12]=2)[NH:7][CH:6]=1)([CH3:4])([CH3:2])[CH3:3]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 702EthanolHCID 61436Stannous chloride dihydrateHCID 684626303-tert-butyl-6-nitro-5-(trifluoromethyl)-1H-indole

Product 1

HCID 67261454HCID 67261454, compound

Reagents, catalysts & solvents 1

HCID 8857Ethyl AcetateSolvent

Conditions

Temperature
62 °C

Procedure

A microwave vial charged with 3-tert-butyl-6-nitro-5-(trifluoromethyl)-1H-indole (95 mg, 0.3319 mmol), SnCl2.2H2O (375 mg, 1.66 mmol) and ethanol (1 mL), was sealed and heated at 62° C. for 3 h. The reaction was cooled to room temperature, diluted with EtOAc and quenched with saturated NaHCO3 solution until the pH was 7. The reaction mixture was then filtered through a plug of celite. The layers were separated and the organic layer was dried over Na2SO4, filtered and concentrated. The residue was purified via silica gel column chromatography using 0 to 40% EtOAc in hexanes to obtain 3-tert-butyl-5-(trifluoromethyl)-1H-indol-6-amine. LC/MS: m/z 257.3 (M+H)+ at 1.54 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)).

Workup

  1. customwas sealed
  2. temperatureThe reaction was cooled to room temperature
  3. customquenched with saturated NaHCO3 solution until the pH was 7
  4. filtrationThe reaction mixture was then filtered through a plug of celite
  5. customThe layers were separated
  6. dry with materialthe organic layer was dried over Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated
  9. customThe residue was purified via silica gel column chromatography

Sources & evidence

ORD record
ord-c3c7fc0f502a467b88e4ca335c306738
Source dataset
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08802700B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes