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Hydrochloric Acid → (4-(Cyclohexylmethyl)-3-(trifluoromethyl)phenyl)methanol

HRID 1964114
Notes
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Reaction equation

HRID 1964114 reaction equation
[CH:1]1([CH2:7][C:8]2[CH:17]=[CH:16][C:11]([C:12](OC)=[O:13])=[CH:10][C:9]=2[C:18]([F:21])([F:20])[F:19])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[BH4-].[Li+].C1COCC1.Cl>O1CCOCC1.O>[CH:1]1([CH2:7][C:8]2[CH:17]=[CH:16][C:11]([CH2:12][OH:13])=[CH:10][C:9]=2[C:18]([F:19])([F:20])[F:21])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 4148881Lithium borohydrideHCID 67211598Methyl 4-(cyclohexylmethyl)-3-(trifluoromethyl)benzoate

Product 1

HCID 67211680(4-(Cyclohexylmethyl)-3-(trifluoromethyl)phenyl)methanolYield 75%

Reagents, catalysts & solvents 2

HCID 962
Water
Solvent
HCID 312751,4-DioxaneSolvent

Conditions

Temperature
80 °C

Procedure

To a stirred solution of methyl 4-(cyclohexylmethyl)-3-(trifluoromethyl)benzoate (280 mg, 0.93 mmol) in dioxane (8 mL) was added 2 M lithium borohydride in THF solution (0.93 mL, 1.86 mmol). The reaction mixture was heated at 80° C. for 2 h, cooled down, poured into water, acidified with 1 M HCl aqueous solution to pH 4, extracted with ethyl acetate. The combined organics were washed with saturated NaHCO3 solution and water, dried and concentrated. The residue was purified by silica gel column chromatography to give the title compound (190 mg) as colorless oil. 1H NMR (400 MHz, CDCl3) δ ppm 0.96-1.06 (m, 2H), 1.14-1.22 (m, 3H), 1.62-1.72 (m, 6H), 2.67 (d, J=6.7 Hz, 2H), 4.71 (d, J=5.7 Hz, 2H), 7.29 (d, J=7.9 Hz, 1H), 7.45 (dd, J=8.0 and 1.6 Hz, 1H), 7.62 (d, J=1.6 Hz, 1H).

Workup

  1. temperaturecooled down
  2. extractionextracted with ethyl acetate
  3. washThe combined organics were washed with saturated NaHCO3 solution and water
  4. customdried
  5. concentrationconcentrated
  6. customThe residue was purified by silica gel column chromatography

Sources & evidence

ORD record
ord-0b1c7c6df2fd4347a1f54f120afd26e9
Source dataset
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08415484B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes