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Methanesulfonamide → 4-[(5-Chloro-6-fluoropyridin-3-yl)oxy]-2,5-difluoro-N-(methylsulfonyl)benzamide

HRID 2048055
Notes
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Reaction equation

HRID 2048055 reaction equation
[CH3:1][S:2]([NH2:5])(=[O:4])=[O:3].C1CCN2C(=NCCC2)CC1.[Cl:17][C:18]1[CH:19]=[C:20]([O:25][C:26]2[C:41]([F:42])=[CH:40][C:29]([C:30](OC3C=CC(C)=CC=3)=[O:31])=[C:28]([F:43])[CH:27]=2)[CH:21]=[N:22][C:23]=1[F:24]>CC#N.CCOC(C)=O>[Cl:17][C:18]1[CH:19]=[C:20]([O:25][C:26]2[C:41]([F:42])=[CH:40][C:29]([C:30]([NH:5][S:2]([CH3:1])(=[O:4])=[O:3])=[O:31])=[C:28]([F:43])[CH:27]=2)[CH:21]=[N:22][C:23]=1[F:24]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 72879MethanesulfonamideHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 58042398p-Tolyl 4-(5-chloro-6-fluoropyridin-3-yloxy)-2,5-difluorobenzoate

Product 1

HCID 580423644-[(5-Chloro-6-fluoropyridin-3-yl)oxy]-2,5-difluoro-N-(methylsulfonyl)benzamideYield 36.1%

Reagents, catalysts & solvents 2

HCID 6342
Acetonitrile
Solvent
HCID 8857Ethyl AcetateSolvent

Conditions

Temperature
45 °C

Procedure

Methanesulfonamide (52.0 mg, 0.547 mmol) was suspended in MeCN (3 mL) in a sealed vial. 2,3,4,6,7,8,9,10-Octahydropyrimidol[1,2-a]azepine (0.085 mL, 0.57 mmol) was added followed by 4-methylphenyl 4-[(5-chloro-6-fluoropyridin-3-yl)oxy]-2,5-difluorobenzoate (Preparation 67, 215.0 mg, 0.546 mmol). The mixture was heated at 45° C. for 2 hours. The reaction mixture was diluted in EtOAc (15 mL), then washed with 10% aqueous citric acid solution (2×15 mL). The organic layer was dried over sodium sulfate, filtered, and concentrated in vacuo. The resulting solid was partitioned between DCM (10 mL) and water (10 mL). The organic layer was further washed water (2×10 mL) and concentrated in vacuo to yield the title compound as a white solid (75 mg). EtOAc (15 mL) was added to the combined aqueous. The organic layer was then washed with water (3×10 mL), dried over sodium sulfate, filtered and concentrated in vacuo to yield a second batch of the title compound as a white solid (75.0 mg, 35%):

Workup

  1. washwashed with 10% aqueous citric acid solution (2×15 mL)
  2. dry with materialThe organic layer was dried over sodium sulfate
  3. filtrationfiltered
  4. concentrationconcentrated in vacuo
  5. customThe resulting solid was partitioned between DCM (10 mL) and water (10 mL)
  6. washThe organic layer was further washed water (2×10 mL)
  7. concentrationconcentrated in vacuo

Sources & evidence

ORD record
ord-8998601744e04895b9f43ef675d76ee3
Source dataset
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08592629B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes