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Water → 2-Bromo-3-fluoro-6-nitrobenzonitrile

HRID 471604
Notes
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Reaction equation

HRID 471604 reaction equation
C(N(CC)CC)C.[Br:8][C:9]1[C:17]([F:18])=[CH:16][CH:15]=[C:14]([N+:19]([O-:21])=[O:20])[C:10]=1[C:11]([NH2:13])=O.O>O=P(Cl)(Cl)Cl>[Br:8][C:9]1[C:17]([F:18])=[CH:16][CH:15]=[C:14]([N+:19]([O-:21])=[O:20])[C:10]=1[C:11]#[N:13]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 962WaterHCID 8471TriethylamineHCID 674009152-Bromo-3-fluoro-6-nitrobenzamide

Product 1

HCID 673997772-Bromo-3-fluoro-6-nitrobenzonitrileYield 64%

Reagents, catalysts & solvents 1

HCID 24813Phosphorus oxychlorideSolvent

Conditions

Temperature
75 °C

Procedure

Triethylamine (2.53 mL, 18.2 mmol) was added to a suspension of 2-bromo-3-fluoro-6-nitrobenzamide (Example 6e) (1.60 g, 6.08 mmol) in POCl3 (32 mL), and the mixture was heated at 75° C. for 1.5 h. The mixture was carefully poured into a mixture of ice and water (400 mL) and extracted twice with CH2Cl2. The combined extract was dried MgSO4, filtered and concentrated under vacuum. The residue was purified by chromatography on silica gel eluting with solvent gradient 0% to 100% EtOAc in hexanes, to give 2-bromo-3-fluoro-6-nitrobenzonitrile 0.95 g, (64%) as a yellow solid.

Workup

  1. extractionextracted twice with CH2Cl2
  2. extractionThe combined extract
  3. filtrationfiltered
  4. concentrationconcentrated under vacuum
  5. customThe residue was purified by chromatography on silica gel eluting with solvent gradient 0% to 100% EtOAc in hexanes

Sources & evidence

ORD record
ord-2a26dee2f19346e88feddfe0630a3425
Source dataset
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08633186B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes