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Water → 2-[1-(Hydroxymethyl)cyclopropyl]-3-(methoxymethoxy)-6-methyl-phenol

HRID 2278305
Notes
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Reaction equation

HRID 2278305 reaction equation
COC[O:4][C:5]1[C:10]([CH3:11])=[CH:9][CH:8]=[C:7]([O:12][CH2:13][O:14][CH3:15])[C:6]=1[C:16]1([C:19](OCC)=[O:20])[CH2:18][CH2:17]1.O.[H-].[Na+].C(Cl)OC.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C(O)C>[OH:20][CH2:19][C:16]1([C:6]2[C:7]([O:12][CH2:13][O:14][CH3:15])=[CH:8][CH:9]=[C:10]([CH3:11])[C:5]=2[OH:4])[CH2:17][CH2:18]1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 5

HCID 962WaterHCID 7864Chloromethyl Methyl EtherHCID 24758Sodium hydrideHCID 21226445Aluminium lithium hydrideHCID 67958381Ethyl 1-[2,6-bis(methoxymethoxy)-3-methyl-phenyl]cyclopropanecarboxylate2×

Product 1

HCID 86698448
2-[1-(Hydroxymethyl)cyclopropyl]-3-(methoxymethoxy)-6-methyl-phenol
Yield 31.6%

Reagents, catalysts & solvents 1

HCID 702EthanolSolvent

Conditions

Temperature
50 °C

Procedure

To a solution of ethyl 1-[2,6-bis(methoxymethoxy)-3-methyl-phenyl]cyclopropanecarboxylate (Intermediate 10, 300 mg, 0.93 mmol) in ethanol (10 ml) HCl 6N in water (0.4 mL, 2.4 mmol) was added and the reaction mixture was stirred overnight at 50° C. Combined solvents were removed under reduced pressure. The residue was suspended in dry toluene (10 mL) and the solvent evaporated. The obtained residue was dissolved in dry tetrahydrofuran (10 ml), the mixture was cooled to 0° C. and NaH (60% dispersion in mineral oil) (80 mg, 2 mmol) was added and the reaction mixture was stirred for 30 minutes at the same temperature. MOM-Cl (0.083 mL, 1.1 mmol) was then added and the reaction mixture was stirred for 1 hour at 0° C. LiAlH4 (1M in THF, 1.2 ml, 1.2 mmol) was added and the reaction mixture was further stirred for 1 hour at the same temperature. The reaction was quenched with an aqueous saturated solution of ammonium chloride (10 ml), diluted with water (20 ml) and extracted with ethyl acetate (2×50 ml). Combined organic layers were dried over sodium sulphate, filtered and evaporated and the residue was purified by flash chromatography (Biotage system) on silica gel using a 25 g SNAP column and cyclohexane to cyclohexane/ethyl acetate 7:3 as eluents affording the title compound (70 mg) as a white solid.

Workup

  1. customCombined solvents were removed under reduced pressure
  2. customthe solvent evaporated
  3. dissolutionThe obtained residue was dissolved in dry tetrahydrofuran (10 ml)
  4. temperaturethe mixture was cooled to 0° C.
  5. stirringthe reaction mixture was stirred for 30 minutes at the same temperature
  6. stirringthe reaction mixture was stirred for 1 hour at 0° C
  7. stirringthe reaction mixture was further stirred for 1 hour at the same temperature
  8. customThe reaction was quenched with an aqueous saturated solution of ammonium chloride (10 ml)
  9. additiondiluted with water (20 ml)
  10. extractionextracted with ethyl acetate (2×50 ml)
  11. dry with materialCombined organic layers were dried over sodium sulphate
  12. filtrationfiltered
  13. customevaporated
  14. customthe residue was purified by flash chromatography (Biotage system) on silica gel using a 25 g SNAP column and cyclohexane to cyclohexane/ethyl acetate 7:3 as eluents

Sources & evidence

ORD record
ord-01f04b71cf414fda89a9067227bebef2
Source dataset
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09133175B2

Reaction notes

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