Acetic Acid → HCID 57431049, compound

HRID 1929526Notes

Reaction equation

HRID 1929526 reaction equation
[Cl:1][C:2]1[N:7]=[N:6][C:5]([CH:8](C#N)[C:9]2[CH:10]=C[C:12]([F:17])=[C:13]([CH:16]=2)C#N)=[C:4]([CH2:20][CH3:21])[CH:3]=1.Cl.O.[CH3:24][C:25]([OH:27])=[O:26]>O.CCOC(C)=O>[Cl:1][C:2]1[N:7]=[N:6][C:5]([CH2:8][C:9]2[CH:16]=[CH:13][C:12]([F:17])=[C:24]([CH:10]=2)[C:25]([OH:27])=[O:26])=[C:4]([CH2:20][CH3:21])[CH:3]=1

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 21885828Hydrate;hydrochlorideHCID 86632296HCID 86632296, compound

Product 1

HCID 57431049HCID 57431049, compound

Reagents, catalysts & solvents 1

HCID 22728543Water ethylacetateSolvent

Procedure

A solution of Example 1, A2 (1 eq) in AcOH:conc.HCl:H2O (1:10:1, 0.065 M) was heated at reflux overnight. The reaction mixture was then cooled down to RT and diluted with water/EtOAc. The organic phase was washed with brine, dried (Na2SO4), and concentrated under reduced pressure. MS (ES) C14H12ClFN2O2 required: 294/296. found: 295/297 (M+H)+.

Workup

  1. temperatureat reflux overnight
  2. washThe organic phase was washed with brine
  3. dry with materialdried (Na2SO4)
  4. concentrationconcentrated under reduced pressure

Sources & evidence

ORD record
ord-d3416be5c3644bcf8a5bf09fbe36a76f
Source dataset
uspto-grants-2012_05
Patent number
US08188084B2

Reaction notes

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