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Water → N-[4-(2-Pyrimidinylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl propanamide

HRID 865240
ノート
印刷プレビュー

反応式

HRID 865240 の反応式
[F:1][C:2]([F:10])([F:9])[C:3]([OH:8])([CH3:7])[C:4](O)=[O:5].S(Cl)(Cl)=O.[N:15]1[CH:20]=[CH:19][CH:18]=[N:17][C:16]=1[S:21]([C:24]1[CH:29]=[CH:28][C:27]([NH2:30])=[CH:26][CH:25]=1)(=[O:23])=[O:22].O>CN(C)C(=O)C>[N:15]1[CH:20]=[CH:19][CH:18]=[N:17][C:16]=1[S:21]([C:24]1[CH:29]=[CH:28][C:27]([NH:30][C:4](=[O:5])[C:3]([OH:8])([CH3:7])[C:2]([F:10])([F:9])[F:1])=[CH:26][CH:25]=1)(=[O:22])=[O:23]
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 962WaterHCID 24386Thionyl ChlorideHCID 27751253,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acidHCID 218172744-(2-Pyrimidylsulfonyl)aniline

生成物 1

HCID 10667166N-[4-(2-Pyrimidinylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methyl propanamide収率 66.6%

試薬・触媒・溶媒 1

HCID 31374
Dimethylacetamide
溶媒

実験手順

To a stirred, cooled (-20° C.) solution of 3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid (1.01 g, 6.4 mmol) in N,N-dimethylacetamide (10 mL) was added thionyl chloride (0.76 g, 6.4 mmol) and the mixture stirred at -10° to -15° C. for one hour. 4-(2-Pyrimidylsulfonyl)benzenamine (1.00 g, 4.2 mmol) was added in one portion to the orange solution and the mixture stirred at room temperature overnight. The brown mixture was poured into water and extracted with ethyl acetate (2×50 mL). The combined organic portions were washed with water, dried (MgSO4), filtered, and the solvent distilled to yield a tan solid. Flash chromatography of the solid (eluted with 10% v/v ethyl acetate in methylene chloride) and evaporation of the eluent yielded the title propanamide (1.05 g, 66%) as a white solid; mp 187°-190° C. 1H-NMR (300 MHz, d6 -DMSO): 1.60 (s, 3H, CH3), 7.59 (s, 1H, OH), 7.79 (t, 1H, J=4.9 Hz, aromatic), 7.96 (d, 2H, J=8.9 Hz, aromatic), 8.06 (d, 2H, J=8.9 Hz, aromatic), 9.02 (d, 2H, J=4.8 Hz, aromatic), 10.49 (s, 1H, NH). MS (CI, CH4): 376 (M+1).

後処理

  1. stirringthe mixture stirred at room temperature overnight
  2. extractionextracted with ethyl acetate (2×50 mL)
  3. washThe combined organic portions were washed with water
  4. dry with materialdried (MgSO4)
  5. filtrationfiltered
  6. distillationthe solvent distilled
  7. customto yield a tan solid
  8. washFlash chromatography of the solid (eluted with 10% v/v ethyl acetate in methylene chloride) and
  9. customevaporation of the eluent

出典と根拠

ORDレコード
ord-2a5c39c2ed724a6885ae8d4c2f805eb3
出典データセット
uspto-grants-1996_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05565477

反応ノート

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