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Sodium Hydroxide → 1-(3,4-difluorophenyl)-1H-1,2,4-triazole-3-carboxylic acid

HRID 1755235
Notes
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Reaction equation

HRID 1755235 reaction equation
[F:1][C:2]1[CH:3]=[C:4]([N:9]2[CH:13]=[N:12][C:11]([C:14]([O:16]CC)=[O:15])=[N:10]2)[CH:5]=[CH:6][C:7]=1[F:8].[OH-].[Na+]>CCO.O>[F:1][C:2]1[CH:3]=[C:4]([N:9]2[CH:13]=[N:12][C:11]([C:14]([OH:16])=[O:15])=[N:10]2)[CH:5]=[CH:6][C:7]=1[F:8]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 14798Sodium HydroxideHCID 86720531ethyl 1-(3,4-difluorophenyl)-1H-1,2,4-triazole-3-carboxylate

Product 1

HCID 867205321-(3,4-difluorophenyl)-1H-1,2,4-triazole-3-carboxylic acidYield 84%

Reagents, catalysts & solvents 1

HCID 19096565Water ethanolSolvent

Conditions

Temperature
50 °C

Procedure

To a solution of ethyl 1-(3,4-difluorophenyl)-1H-1,2,4-triazole-3-carboxylate (0.30 g, 1.2 mmol, 1 eq) in 5 mL of EtOH/H2O (1.5:1) was added NaOH (0.095 g, 2.4 mmol, 2 eq). The reaction mixture was heated at 50° C. for 1 h then quenched with 0.20 mL of cone. HCl. The contents were filtered and washed with EtOAc then with MeOH and the MeOH filtrate was dried with Na2SO4 and concentrated in vacuo to afford 1-(3,4-difluorophenyl)-1H-1,2,4-triazole-3-carboxylic acid (0.22 g, 0.98 mmol, 84%).

Workup

  1. customthen quenched with 0.20 mL of cone
  2. filtrationThe contents were filtered
  3. washwashed with EtOAc
  4. dry with materialwith MeOH and the MeOH filtrate was dried with Na2SO4
  5. concentrationconcentrated in vacuo

Sources & evidence

ORD record
ord-9fa712c2f70249e69a6d02619310dcb7
Source dataset
uspto-grants-2015_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09169261B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes