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Water → N-(3-cyano-2,4-difluorophenyl)-N,1-dimethyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

HRID 1500063
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HRID 1500063 반응식
[C:1](=O)([O-])[O-].[K+].[K+].IC.[C:9]([C:11]1[C:12]([F:38])=[C:13]([NH:18][C:19]([C:21]2[N:25]([CH3:26])[N:24]=[C:23]([C:27]([F:33])([F:32])[C:28]([F:31])([F:30])[F:29])[C:22]=2[C:34]([F:37])([F:36])[F:35])=[O:20])[CH:14]=[CH:15][C:16]=1[F:17])#[N:10].O>CN(C=O)C>[C:9]([C:11]1[C:12]([F:38])=[C:13]([N:18]([CH3:1])[C:19]([C:21]2[N:25]([CH3:26])[N:24]=[C:23]([C:27]([F:32])([F:33])[C:28]([F:31])([F:30])[F:29])[C:22]=2[C:34]([F:36])([F:37])[F:35])=[O:20])[CH:14]=[CH:15][C:16]=1[F:17])#[N:10]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 962WaterHCID 6328Methyl iodideHCID 11430Potassium CarbonateHCID 89651058N-(3-cyano-2,4-difluorophenyl)-1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

생성물 1

HCID 89650683N-(3-cyano-2,4-difluorophenyl)-N,1-dimethyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide수율 98.5%

시약·촉매·용매

1
HCID 6228Dimethylformamide용매

실험 절차

Potassium carbonate (1.28 g, 5.58 mmol, 2.0 eq.) and iodomethane (0.5 ml, 1.2 g, 8.4 mmol, 3.0 eq.) were added to a solution of N-(3-cyano-2,4-difluorophenyl)-1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (1.25 g, 2.79 mmol) in DMF (4 ml). After 5 h, water was added, the mixture was extracted with ethyl acetate and the extract was washed with sat. aq. sodium chloride solution and dried over MgSO4. Filtration through silica gel gave N-(3-cyano-2,4-difluorophenyl)-N,1-dimethyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (1.27 g, 98%) as a mixture of rotamers which was reacted further without additional purification.

후처리

  1. extractionthe mixture was extracted with ethyl acetate
  2. washthe extract was washed with sat. aq. sodium chloride solution
  3. dry with materialdried over MgSO4
  4. filtrationFiltration through silica gel

출처 및 근거

ORD 기록
ord-8c1b14c2b18546a8b0e399acc3b5075a
출처 데이터셋
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09204645B2

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