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

HRID 246616
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HRID 246616 반응식
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]
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참가 물질

8

반응물 4

HCID 14797Potassium HydroxideHCID 144101Bromodifluoromethyl diethylphosphonateHCID 18522661Acetone cardiceHCID 712797213-Iodo-1-methyl-1H-indazol-5-ol

생성물 1

HCID 712795445-(difluoromethoxy)-3-iodo-1-methyl-1H-indazole수율 53%

시약·촉매·용매 3

HCID 962
Water
용매
HCID 6342Acetonitrile용매
HCID 8857Ethyl Acetate용매

실험 절차

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).

후처리

  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)

출처 및 근거

ORD 기록
ord-0b6f2c2e918a4c72aca5771957abe10a
출처 데이터셋
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08658646B2

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