Potassium Hydroxide → 5-(difluoromethoxy)-3-iodo-1-methyl-1H-indazole

HRID 246616

反応式

HRID 246616 の反応式
Br[C:2](P(=O)(OCC)OCC)([F:4])[F:3].C(=O)=O.CC(C)=O.[I:20][C:21]1[C:29]2[C:24](=[CH:25][CH:26]=[C:27]([OH:30])[CH:28]=2)[N:23]([CH3:31])[N:22]=1.[OH-].[K+]>CC#N.O.CCOC(C)=O>[F:3][CH:2]([F:4])[O:30][C:27]1[CH:28]=[C:29]2[C:24](=[CH:25][CH:26]=1)[N:23]([CH3:31])[N:22]=[C:21]2[I:20]

参加物

8

実験手順

Diethyl bromodifluoromethylphosphonate (9 g, 10.9 mmol) was added in one portion to a cooled (dry ice-acetone bath) solution of 3-iodo-1-methyl-1H-indazol-5-ol (3 g, 37.8 mmol) and KOH (15 g, 267 mmol) in CH3CN (50 mL) and H2O (50 mL) with stirring, the reaction mixture was warmed to room temperature and stirred for 0.5 h, the mixture was diluted with EtOAc (50 mL), The organic layer was washed with H2O (50 mL), brine (100 mL), dried over Na2SO4 and concentrated under reduced pressure, the residue was purified by column chromatography (silica gel, 200-300 mesh, eluting with petroleum ether/EtOAc=3:1) to give 5-(difluoromethoxy)-3-iodo-1-methyl-1H-indazole (1.85 g, 53%) as a white solid. LCMS: (M+H)+=325; 1H NMR (300 MHz, CDCl3), δ 7.36-7.33 (m, 1H), 7.28-7.23 (m, 1H), 7.19 (s, 1H), 6.53 (t, 1H, J=73.5 Hz), 4.09 (s, 3H).

後処理

  1. stirringstirred for 0.5 h
  2. washThe organic layer was washed with H2O (50 mL), brine (100 mL)
  3. dry with materialdried over Na2SO4
  4. concentrationconcentrated under reduced pressure
  5. customthe residue was purified by column chromatography (silica gel, 200-300 mesh, eluting with petroleum ether/EtOAc=3:1)

出典と根拠

ORDレコード
ord-0b6f2c2e918a4c72aca5771957abe10a
出典データセット
uspto-grants-2014_02
特許番号
US08658646B2

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