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Acetic Acid → Methyl 4-(2,2-dimethoxyethyl)-3-nitrobenzoate

HRID 1067754
Notes
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Reaction equation

HRID 1067754 reaction equation
[CH3:1][O-:2].[Na+].[N+:4]([C:7]1[CH:8]=[C:9]([CH:14]=[CH:15][C:16]=1[C:17]#[C:18][Si](C)(C)C)[C:10]([O:12][CH3:13])=[O:11])([O-:6])=[O:5].[C:23]([OH:26])(=O)C>CO>[CH3:1][O:2][CH:18]([O:26][CH3:23])[CH2:17][C:16]1[CH:15]=[CH:14][C:9]([C:10]([O:12][CH3:13])=[O:11])=[CH:8][C:7]=1[N+:4]([O-:6])=[O:5]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 10942334Sodium MethoxideHCID 13585838Methyl 3-nitro-4-trimethylsilylethynylbenzoate

Product 1

HCID 10265064Methyl 4-(2,2-dimethoxyethyl)-3-nitrobenzoateYield 82.5%

Reagents, catalysts & solvents 1

HCID 887MethanolSolvent

Conditions

Temperature
0 °C

Procedure

To a methanol solution of 2.92 g (54.1 mmol) of sodium methoxide was added 3.00 g (10.8 mmol) of methyl 3-nitro-4-trimethylsilylethynylbenzoate prepared above. The mixture was refluxed for 30 minutes. After cooling to 0° C., 5.52 g (54.1 mmol) of acetic acid was added to the reaction mixture and the solvent was then distilled off under reduced pressure. Ice water was poured onto the resulting residue followed by extraction three times with dichloromethane. After drying over anhydrous magnesium sulfate, the solvent was distilled off under reduced pressure and the residue was purified by silica gel column chromatography to give 2.40 g (82.4%) of methyl 4-(2,2-dimethoxyethyl)-3-nitrobenzoate.

Workup

  1. customprepared above
  2. temperatureThe mixture was refluxed for 30 minutes
  3. distillationthe solvent was then distilled off under reduced pressure
  4. additionIce water was poured onto the resulting residue
  5. extractionfollowed by extraction three times with dichloromethane
  6. dry with materialAfter drying over anhydrous magnesium sulfate
  7. distillationthe solvent was distilled off under reduced pressure
  8. customthe residue was purified by silica gel column chromatography

Sources & evidence

ORD record
ord-64e9e2d6c02d4f0dab2ca97ac44aec24
Source dataset
uspto-grants-2001_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06248772B1

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes