Acetic Acid → HCID 86688195, compound

HRID 1428299Notes

Reaction equation

HRID 1428299 reaction equation
[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([C:21]([NH:23][C:24]2[CH:25]=[C:26]([C:36]([F:39])([F:38])[F:37])[CH:27]=[C:28]([N:30]3[CH:34]=[N:33][C:32]([CH3:35])=[CH:31]3)[CH:29]=2)=[O:22])=[CH:6][C:7]=1[NH:8][C:9]1[N:10]=[CH:11][CH:12]=[C:13]([C:15]2[CH:16]=[CH:17][CH:18]=[N:19][CH:20]=2)[N:14]=1.[C:40]([OH:43])(=[O:42])[CH3:41]>>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([C:21]([NH:23][C:24]2[CH:25]=[C:26]([C:36]([F:38])([F:39])[F:37])[CH:27]=[C:28]([N:30]3[CH:34]=[N:33][C:32]([CH3:35])=[CH:31]3)[CH:29]=2)=[O:22])=[CH:6][C:7]=1[NH:8][C:9]1[N:10]=[CH:11][CH:12]=[C:13]([C:15]2[CH:16]=[CH:17][CH:18]=[N:19][CH:20]=2)[N:14]=1.[C:40]([O-:43])(=[O:42])[CH3:41]

Participants

3

Reactant 2

HCID 176Acetic AcidHCID 644241Nilotinib

Product 1

HCID 86688195HCID 86688195, compound

Conditions

Temperature
40 °C

Procedure

Nilotinib base (1.5 g, 2.83 mmol) in glacial acetic acid (5 mL, 3.3V) was heated to 40° C. leading to dissolution. A precipitate was observed after stirring the solution at 40° C. for about 10 min. The mixture was then sonicated at 40° C. for 1 h leading to a clear solution. The solution was then allowed to cool to room temperature while stirring. A precipitate formed and was filtered to give Nilotinib acetate form V as a white solid.

Workup

  1. dissolutionleading to dissolution
  2. customThe mixture was then sonicated at 40° C. for 1 h
  3. temperatureto cool to room temperature
  4. stirringwhile stirring
  5. customA precipitate formed
  6. filtrationwas filtered

Sources & evidence

ORD record
ord-b6d8e97e8b3d425cb830fcb30e9e86aa
Source dataset
uspto-grants-2015_01
Patent number
US08937082B2

Reaction notes

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