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Iodine → [4-(Trifluoromethyl)cyclohexyl]methanamine

HRID 2304907
Notes
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Reaction equation

HRID 2304907 reaction equation
[F:1][C:2]([F:13])([F:12])[CH:3]1[CH2:8][CH2:7][CH:6]([C:9]([NH2:11])=O)[CH2:5][CH2:4]1.[BH4-].[Na+].II.CO>C1COCC1>[F:1][C:2]([F:12])([F:13])[CH:3]1[CH2:4][CH2:5][CH:6]([CH2:9][NH2:11])[CH2:7][CH2:8]1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 807IodineHCID 887MethanolHCID 4311764Sodium borohydrideHCID 219912124-(Trifluoromethyl)cyclohexane-1-carboxamide

Product 1

HCID 22337633[4-(Trifluoromethyl)cyclohexyl]methanamineYield 9.7%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent
3×

Conditions

Temperature
0 °C

Procedure

At 0° C. a solution of 4-trifluoromethylcyclohexanecarboxylic acid amide (1.38 g, 7.07 mmol) in THF (20 ml) was added to a suspension of sodium borohydride (0.64 g, 16.97 mmol) in THF (20 ml). A solution of iodine (1.79 g, 7.07 mmol) in THF (20 ml) was added dropwise. The reaction mixture was heated to reflux for 16 hours. It was cooled to 0° C. Methanol (40 ml) was added dropwise. The solvent was removed in vacuo. The residue was dissolved in tert-butyl methyl ether (100 ml) and a 20% aqueous solution of sodium hydroxide. The phases were separated. The aqueous phase was extracted with tert-butyl methyl ether (2×70 ml). The combined organic layers were dried over magnesium sulphate. The solvent was removed in vacuo. The crude product was purified by flash chromatography on silica (90 g), using DCM/methanol/25% aqueous ammonia (first 100:10:1; then 50:10:1) as eluent, to give 124 mg of ((4-trifluoromethylcyclohexyl)methyl)amine.

Workup

  1. temperatureThe reaction mixture was heated
  2. temperatureto reflux for 16 hours
  3. customThe solvent was removed in vacuo
  4. dissolutionThe residue was dissolved in tert-butyl methyl ether (100 ml)
  5. customThe phases were separated
  6. extractionThe aqueous phase was extracted with tert-butyl methyl ether (2×70 ml)
  7. dry with materialThe combined organic layers were dried over magnesium sulphate
  8. customThe solvent was removed in vacuo
  9. customThe crude product was purified by flash chromatography on silica (90 g)

Sources & evidence

ORD record
ord-a5d330b684c8404c8faec6c342aba7f6
Source dataset
uspto-grants-2002_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06437147B1

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes