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1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → 2-Amino-3-bromobenzamide

HRID 473153
Notes
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Reaction equation

HRID 473153 reaction equation
[NH2:1][C:2]1[C:10]([Br:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].C([N:14]=C=NCCCN(C)C)C.[Cl-].[NH4+].C(N(C(C)C)CC)(C)C>CN(C=O)C>[NH2:1][C:2]1[C:10]([Br:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([NH2:14])=[O:5]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 25517Ammonium ChlorideHCID 81531DiisopropylethylamineHCID 2702592-Amino-3-bromobenzoic acid

Product 1

HCID 229310922-Amino-3-bromobenzamideYield 84.9%

Reagents, catalysts & solvents 1

HCID 6228
Dimethylformamide
Solvent

Procedure

To 2-amino-3-bromobenzoic acid (0.5 g, 2.3 mmol) in DMF (5 mL) at rt were added hydroxybenzatriazole (0.46 g, 3.0 mmol), 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (0.53 g, 2.8 mmol), ammonium chloride (0.5 g, 9.7 mmol), and diisopropylethylamine (1.7 ml, 9.7 mmol). The mixture was purged with N2 and stirred for 6 h. The mixture was poured into water and extracted with EtOAc (3×50 mL). The combined extracts were washed with brine (2×20 mL), dried over MgSO4, filtered, and concentrated under reduced pressure. The residue was treated with DCM (10 mL) resulting in a precipitate which was collected by filtration and dried to afford 2-amino-3-bromobenzamide as a pale pink solid (0.42 g, 84%). LCMS (ESI) m/z 215/217 (M+H)+

Workup

  1. customThe mixture was purged with N2
  2. additionThe mixture was poured into water
  3. extractionextracted with EtOAc (3×50 mL)
  4. washThe combined extracts were washed with brine (2×20 mL)
  5. dry with materialdried over MgSO4
  6. filtrationfiltered
  7. concentrationconcentrated under reduced pressure
  8. additionThe residue was treated with DCM (10 mL)
  9. customresulting in a precipitate which
  10. filtrationwas collected by filtration
  11. customdried

Sources & evidence

ORD record
ord-03bf4f65c38240c8ada9e8b2fb3c9aec
Source dataset
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08633207B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes