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Hydrogen Peroxide → 2-Amino-3-chloro-4-methoxybenzoic acid

HRID 880783
Notes
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Reaction equation

HRID 880783 reaction equation
[Cl:1][C:2]1[C:3]([O:13][CH3:14])=[CH:4][CH:5]=[C:6]2[C:10]=1[NH:9]C(=O)[C:7]2=[O:12].[OH-:15].[Na+].[Na+].[Cl-].OO>O.C(Cl)Cl>[NH2:9][C:10]1[C:2]([Cl:1])=[C:3]([O:13][CH3:14])[CH:4]=[CH:5][C:6]=1[C:7]([OH:12])=[O:15]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 784Hydrogen PeroxideHCID 5234Sodium ChlorideHCID 14798Sodium HydroxideHCID 666505277-chloro-6-methoxy-1H-indole-2,3-dione

Product 1

HCID 666505632-Amino-3-chloro-4-methoxybenzoic acidYield 36%

Reagents, catalysts & solvents 2

HCID 962
Water
Solvent
HCID 6344DichloromethaneSolvent

Procedure

A suspension of compound 246d (6.03 g, 28.52 mmol), NaOH (1.25 g, 31.37 mmol), and NaCl (3.49 g, 59.89 mmol) in water (60 mL) was stirred at room temperature for 30 min and was then ice-cooled. H2O2 was added dropwise. The mixture was stirred at 0° C. for 20 min and at room temperature for 3 hrs. The reaction mixture was quenched with glacial AcOH, filtered, and washed with water. The solid obtained was dissolved in DCM, dried over Na2SO4, filtered, and concentrated under reduced pressure. The crude material was purified by chromatography on silica gel (DCM/MeOH) to yield compound 247d as an orange solid in 36% yield. 1H NMR (DMSO-d6, 400 MHz) δ (ppm) 3.85 (s, 3H), 6.41 (d, J=9.05 Hz, 1H), 6.77 (brs, 2H), 7.74 (d, J=9.05 Hz, 1H), 12.7 (brs, 1H).

Workup

  1. temperatureice-cooled
  2. stirringThe mixture was stirred at 0° C. for 20 min and at room temperature for 3 hrs
  3. customThe reaction mixture was quenched with glacial AcOH
  4. filtrationfiltered
  5. washwashed with water
  6. customThe solid obtained
  7. dry with materialdried over Na2SO4
  8. filtrationfiltered
  9. concentrationconcentrated under reduced pressure
  10. customThe crude material was purified by chromatography on silica gel (DCM/MeOH)

Sources & evidence

ORD record
ord-3a6a5c5a2f2b456984b987f1f43f65f8
Source dataset
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08993595B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes