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Hydrochloric Acid → 2-(3,4-Dichloro-phenoxy)-5-fluoro-nicotinic acid

HRID 1828840
Notes
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Reaction equation

HRID 1828840 reaction equation
C([O:3][C:4](=[O:21])[C:5]1[CH:10]=[C:9]([F:11])[CH:8]=[N:7][C:6]=1[O:12][C:13]1[CH:18]=[CH:17][C:16]([Cl:19])=[C:15]([Cl:20])[CH:14]=1)C.O.[OH-].[Li+].Cl>O1CCCC1>[Cl:20][C:15]1[CH:14]=[C:13]([CH:18]=[CH:17][C:16]=1[Cl:19])[O:12][C:6]1[N:7]=[CH:8][C:9]([F:11])=[CH:10][C:5]=1[C:4]([OH:21])=[O:3]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 962WaterHCID 3939Lithium HydroxideHCID 208726362-(3,4-Dichloro-phenoxy)-5-fluoro-nicotinic acid ethyl ester

Product 1

HCID 220584282-(3,4-Dichloro-phenoxy)-5-fluoro-nicotinic acidYield 98.4%

Reagents, catalysts & solvents 1

HCID 8028
Tetrahydrofuran
Solvent

Procedure

2-(3,4-Dichloro-phenoxy)-5-fluoro-nicotinic acid ethyl ester (4.9 g, 14.8 mmol, see preparation 72) was dissolved in tetrahydrofuran (50 ml). Water (27 ml) and lithium hydroxide (1.56 g, 37.1 mmol) were added and the mixture was stirred vigorously for 7 hours. The reaction mixture was acidified to pH5 by addition of 2 M hydrochloric acid and the mixture was partitioned between ethyl acetate (200 ml) and water (200 ml). The aqueous layer was acidified to pH 3 by addition of 2 M hydrochloric acid and the phases were separated. The aqueous phase was extracted with ethyl acetate (2-fold 50 ml) and the combined organic solutions were dried over magnesium sulphate and concentrated in-vacuo to give 2-(3,4-dichloro-phenoxy)-5-fluoro-nicotinic acid as a white solid (4.4 g).

Workup

  1. customthe mixture was partitioned between ethyl acetate (200 ml) and water (200 ml)
  2. additionThe aqueous layer was acidified to pH 3 by addition of 2 M hydrochloric acid
  3. customthe phases were separated
  4. extractionThe aqueous phase was extracted with ethyl acetate (2-fold 50 ml)
  5. dry with materialthe combined organic solutions were dried over magnesium sulphate
  6. concentrationconcentrated in-vacuo

Sources & evidence

ORD record
ord-4b6bdce87aef4d64a67f2305d6edb6bf
Source dataset
uspto-grants-2006_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07060717B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes