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Diisopropylethylamine → 2-amino-5-bromo-4-fluoro-N-methylbenzamide

HRID 2279732
Notes
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Reaction equation

HRID 2279732 reaction equation
[NH2:1][C:2]1[CH:10]=[C:9]([F:11])[C:8]([Br:12])=[CH:7][C:3]=1[C:4](O)=[O:5].Cl.CN.[CH3:16][N:17](C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.CCN(C(C)C)C(C)C>C(Cl)Cl>[NH2:1][C:2]1[CH:10]=[C:9]([F:11])[C:8]([Br:12])=[CH:7][C:3]=1[C:4]([NH:17][CH3:16])=[O:5]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 81531DiisopropylethylamineHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 6364545Methylamine hydrochlorideHCID 288272572-Amino-5-bromo-4-fluoro-benzoic acid

Product 1

HCID 866976892-amino-5-bromo-4-fluoro-N-methylbenzamide

Reagents, catalysts & solvents 1

HCID 6344
Dichloromethane
Solvent

Procedure

A solution of 2-amino-5-bromo-4-fluorobenzoic acid (2.00 g, 8.55 mmol), methylamine hydrochloride (0.692 g, 10.2 mmol), TBTU (2.74 g, 8.55 mmol), and DIPEA (4.46 mL, 25.6 mmol) in DCM (15.0 mL) was stirred at rt for 30 minutes. The reaction was quenched with sat. aq. NaHCO3 (10 mL) and extracted with DCM (15 mL). The organic layer was washed with brine (10 mL), dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure to a yellow oil. The crude material was purified on a Teledyne ISCO Combiflash® Rf system using DCM/MeOH (100:0→95:5) as eluent to afford the title compound as 2.54 g of a white solid. 1H NMR (CDCl3, 400 MHz): δ 7.48 (d, J=7.3 Hz, 1H), 6.44 (d, J=10.4 Hz, 1H), 6.11 (br. s., 1H), 5.66 (br. s., 2H), 2.96 (d, J=4.8 Hz, 3H). MS (ESI): m/z 248.91 [M+H]+. UPLC: tR=3.26 min (ZQ3: polar—5 min).

Workup

  1. customThe reaction was quenched with sat. aq. NaHCO3 (10 mL)
  2. extractionextracted with DCM (15 mL)
  3. washThe organic layer was washed with brine (10 mL)
  4. dry with materialdried over anhydrous Na2SO4
  5. filtrationfiltered
  6. concentrationconcentrated under reduced pressure to a yellow oil
  7. customThe crude material was purified on a Teledyne ISCO Combiflash® Rf system

Sources & evidence

ORD record
ord-a841954fd94f4183b3e2da80597d9995
Source dataset
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09133224B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes