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Butyric Acid → 2,2-Dimethoxyethyl butyrate

HRID 39251
Notes
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Reaction equation

HRID 39251 reaction equation
[C:1]([OH:6])(=[O:5])[CH2:2][CH2:3][CH3:4].[CH3:7][O:8][CH:9]([O:12][CH3:13])[CH2:10]Br.C([O-])([O-])=O.[K+].[K+].O>[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.CC#N>[C:1]([O:6][CH2:10][CH:9]([O:12][CH3:13])[O:8][CH3:7])(=[O:5])[CH2:2][CH2:3][CH3:4]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 264Butyric AcidHCID 962WaterHCID 11430Potassium CarbonateHCID 816722-Bromo-1,1-dimethoxyethane

Product 1

HCID 113673002,2-Dimethoxyethyl butyrateYield 78%

Reagents, catalysts & solvents 2

HCID 74236
Tetrabutylammonium Bromide
Catalyst
HCID 6342AcetonitrileSolvent

Conditions

Temperature
134 °C

Procedure

A mixture of butyric acid (1.0 g, 11.35 mmol), bromoacetaldehyde dimethyl acetal (2.25 mL, 19.13 mmol), tetrabutylammonium bromide (1.83 g, 5.67 mmol) and K2CO3 (1.56 g, 11.35 mmol) in 10 mL of anhydrous CH3CN was stirred at 134° C. for 16 h in a sealed tube. It was cooled to room temperature, water was added and the mixture was extracted with Et2O (3×120 mL). The combined organic phases were washed with saturated NaCl (2×60 mL), dried over Na2SO4, filtered and concentrated in vacuo. The residue was purified by flash chromatography on silica gel using 20-30% ethyl acetate/hexanes to give the product 43a (1.56 g, 78%). 1H NMR (400 MHz, CDCl3) δ 0.90 (t, J=7.43 Hz, 3H), 1.60 (sextet, J=7.43, 7.04 Hz, 2H), 2.24 (t, J=7.04 Hz, 2H), 3.36 (s, 6H), 4.08 (d, J=5.3 Hz, 2H), 4.54 (t, J=5.3 Hz, 1H).

Workup

  1. temperatureIt was cooled to room temperature
  2. extractionthe mixture was extracted with Et2O (3×120 mL)
  3. washThe combined organic phases were washed with saturated NaCl (2×60 mL)
  4. dry with materialdried over Na2SO4
  5. filtrationfiltered
  6. concentrationconcentrated in vacuo
  7. customThe residue was purified by flash chromatography on silica gel using 20-30% ethyl acetate/hexanes

Sources & evidence

ORD record
ord-5d5ededb485a4de2877448b0b3b2ec91
Source dataset
uspto-grants-2013_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08524691B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes