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Water → 2,3-Difluoro-6-(2-methoxyethoxy)benzoic acid

HRID 578807
ノート
印刷プレビュー

反応式

HRID 578807 の反応式
[F:1][C:2]1[CH:3]=[C:4]([OH:9])[CH:5]=[CH:6][C:7]=1[F:8].[C:10](=[O:13])([O-])[O-:11].[Cs+].[Cs+].[CH3:16][O:17][CH2:18][CH2:19]Br.O>CN(C)C=O>[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[C:4]([O:9][CH2:19][CH2:18][O:17][CH3:16])[C:3]=1[C:10]([OH:11])=[O:13]
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 10796Cesium carbonateHCID 759273,4-DifluorophenolHCID 809722-Bromoethyl methyl ether

生成物 1

HCID 574290652,3-Difluoro-6-(2-methoxyethoxy)benzoic acid

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

To a suspension of 3,4-difluorophenol (1.43 g) and cesium carbonate (4.89 g) in N,N-dimethylformamide (10 mL) was added 2-methoxyethyl bromide (0.94 mL), and the mixture was stirred at room temperature for 4 days. The reaction mixture was poured into water, and the resulting mixture was extracted with diethyl ether. The extract was washed with 1 mol/L aqueous sodium hydroxide solution, water and brine successively, and dried over anhydrous sodium sulfate. The solvent was removed under reduced pressure, and the residue was dissolved in tetrahydrofuran (39 mL). To the solution was added n-butyllithium (2.64 mol/L n-hexane solution, 3.25 mL) at −78° C., and the mixture was stirred at the same temperature for 30 minutes. To the reaction mixture was added dryice (10 g), and the mixture was stirred at room temperature for 30 minutes. The reaction mixture was acidified by addition of 2 mol/L hydrochloric acid, and the resulting mixture was extracted with ethyl acetate. The extract was washed with brine and dried over anhydrous magnesium sulfate. The solvent was removed under reduced pressure to give 2,3-difluoro-6-(2-methoxyethoxy)benzoic acid (1.48 g). The obtained 2,3-difluoro-6-(2-methoxyethoxy)benzoic acid (0.5 g) was dissolved in 1,4-dioxane (10 mL). To the solution were added triethylamine (0.45 mL) and diphenylphosphoryl azide (0.61 mL), and the mixture was stirred at room temperature overnight. To the reaction mixture was added ethanol (0.99 g), and the mixture was heated for reflux for 5 hours. The reaction mixture was diluted with ethyl acetate, and the resulting mixture was washed with 1 mol/L hydrochloric acid, water and brine successively, and dried over anhydrous magnesium sulfate. The solvent was removed under reduced pressure. To a suspension of the residue in ethanol (10 mL) was added 5 mol/L aqueous sodium hydroxide solution (4.3 mL), and the mixture was heated for reflux for 2 hours. The reaction mixture was diluted with ethyl acetate, and the resulting mixture was washed with water twice and brine, and dried over anhydrous magnesium sulfate. The solvent was removed under reduced pressure, and the residue was purified by column chromatography on silica gel (eluent: n-hexane/ethyl acetate=3/1) to give the title compound (75 mg).

後処理

  1. extractionthe resulting mixture was extracted with diethyl ether
  2. washThe extract was washed with 1 mol/L aqueous sodium hydroxide solution, water and brine successively
  3. dry with materialdried over anhydrous sodium sulfate
  4. customThe solvent was removed under reduced pressure
  5. dissolutionthe residue was dissolved in tetrahydrofuran (39 mL)
  6. additionTo the solution was added n-butyllithium (2.64 mol/L n-hexane solution, 3.25 mL) at −78° C.
  7. stirringthe mixture was stirred at the same temperature for 30 minutes
  8. additionTo the reaction mixture was added dryice (10 g)
  9. stirringthe mixture was stirred at room temperature for 30 minutes
  10. additionThe reaction mixture was acidified by addition of 2 mol/L hydrochloric acid
  11. extractionthe resulting mixture was extracted with ethyl acetate
  12. washThe extract was washed with brine
  13. dry with materialdried over anhydrous magnesium sulfate
  14. customThe solvent was removed under reduced pressure

出典と根拠

ORDレコード
ord-ae9a53224c1649208466db167b7375cb
出典データセット
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09040693B2

反応ノート

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