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Lithium Hydroxide → 4-Nitro-1H-pyrazole-1-propanoic acid

HRID 577270
Notes
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Reaction equation

HRID 577270 reaction equation
[N+:1]([C:4]1[CH:5]=[N:6][NH:7][CH:8]=1)([O-:3])=[O:2].C[O:10][C:11](=[O:15])[CH2:12][CH2:13]Br.C(=O)([O-])[O-].[K+].[K+].[OH-].[Li+]>CN(C=O)C.CO>[N+:1]([C:4]1[CH:5]=[N:6][N:7]([CH2:13][CH2:12][C:11]([OH:15])=[O:10])[CH:8]=1)([O-:3])=[O:2]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 3939Lithium HydroxideHCID 11430Potassium CarbonateHCID 163764-nitro-1H-pyrazoleHCID 76934Methyl 3-bromopropanoate

Product 1

HCID 12298674-Nitro-1H-pyrazole-1-propanoic acid

Reagents, catalysts & solvents 2

HCID 887Methanol
Solvent
HCID 6228DimethylformamideSolvent

Conditions

Temperature
50 °C

Procedure

4-Nitro-1H-pyrazole (0.50 g, 4.4 mmol) was dissolved in DMF (5 mL). After addition of methyl-3-bromopropionate (0.72 mL, 1.5 eq) and potassium carbonate (0.92 g, 1.5 eq), the reaction mixture was stirred at 50° C. for 3 h, then partitioned between water and DCM. The aqueous phase was extracted with DCM, the combined organic phases dried over sodium sulfate and evaporated. The residue was hydrolyzed at rt over 30 min with lithium hydroxide (3M, aqueous) (4.4 mL, 3 eq) in methanol (5 mL) and the reaction mixture evaporated to dryness to afford 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid in a quantitative yield.

Workup

  1. custompartitioned between water and DCM
  2. extractionThe aqueous phase was extracted with DCM
  3. dry with materialthe combined organic phases dried over sodium sulfate
  4. customevaporated
  5. customthe reaction mixture evaporated to dryness

Sources & evidence

ORD record
ord-b88fef098df14fb59c6dacf5fc2a0e3c
Source dataset
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09040545B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes