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Hydrochloric Acid → 3,5-Dimethylhex-3-en-2-one

HRID 131091
Notes
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Reaction equation

HRID 131091 reaction equation
[Li][CH3:2].[CH3:3][C:4](=[CH:8][CH:9]([CH3:11])[CH3:10])[C:5]([OH:7])=O.Cl>CCOCC>[CH3:3][C:4](=[CH:8][CH:9]([CH3:11])[CH3:10])[C:5](=[O:7])[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 534228992,4-Dimethyl-2-pentenoic acidHCID 178418348HCID 178418348, compound

Product 1

HCID 38243573,5-Dimethylhex-3-en-2-one

Reagents, catalysts & solvents 1

HCID 3283Diethyl EtherSolvent2×

Procedure

Under an atmosphere of N2, a 1.6 M solution of MeLi in Et2O (500 ml, 800 mmol) was added during 105 min. dropwise with stirring between 0-10° C. to a solution of 2,4-dimethylpent-2-enoic acid (41.0 g, 320 mmol) in Et2O (1.6 L). The reaction mixture was heated to reflux for 1 h, and then between 5-15° C. 5 N HCl (200 ml) was added dropwise. The organic layer was separated, the aqueous one extracted with Et2O (200 ml). The combined organic solutions were washed with water (200 ml) and brine (100 ml), dried (Na2SO4) and concentrated in a rotary evaporator to afford crude 3,5-dimethylhex-3-en-2-one, which was taken up in Et2O (160 ml). Under N2 at room temp., this solution was added dropwise with stirring to a suspension of LAH (3.34 g, 880 mmol) in Et2O (320 ml) during 1 h. The reaction mixture was refluxed for 2 h, and then quenched between 0-5° C. by addition of water (10 ml) and brine (20 ml). The organic layer was separated and the aqueous one extracted with Et2O (100 ml). The combined ethereal extracts were washed with water (100 ml) and brine (50 ml), dried (Na2SO4), and concentrated under reduced pressure. Silica-gel FC (pentane/Et2O, 4:1, Rf=0.40) of the resulting residue provided 34.7 g (85% over 2 steps) of 3,5-dimethylhex-3-en-2-ol.

Workup

  1. temperatureThe reaction mixture was heated
  2. temperatureto reflux for 1 h
  3. custombetween 5-15° C
  4. customThe organic layer was separated
  5. extractionthe aqueous one extracted with Et2O (200 ml)
  6. washThe combined organic solutions were washed with water (200 ml) and brine (100 ml)
  7. dry with materialdried (Na2SO4)
  8. concentrationconcentrated in a rotary evaporator

Sources & evidence

ORD record
ord-189d4ee55b1c4ab68461a48e798ad58e
Source dataset
uspto-grants-2008_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07384906B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes