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Tert-butyl 3-bromo-5-(2,2,2-trifluoro-1-hydroxyethyl)benzoate → Tert-butyl 3-(5-methylpyridin-2-yl)-5-(2,2,2-trifluoro-1-hydroxyethyl)benzoate

HRID 888365
ノート
印刷プレビュー

反応式

HRID 888365 の反応式
Br[C:2]1[CH:3]=[C:4]([CH:12]=[C:13]([CH:15]([OH:20])[C:16]([F:19])([F:18])[F:17])[CH:14]=1)[C:5]([O:7][C:8]([CH3:11])([CH3:10])[CH3:9])=[O:6].[Br-].[CH3:22][C:23]1[CH:24]=[CH:25][C:26]([Zn+])=[N:27][CH:28]=1>O1CCOCC1.CC(C)([P](C(C)(C)C)([Pd][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C)C>[CH3:22][C:23]1[CH:24]=[CH:25][C:26]([C:2]2[CH:3]=[C:4]([CH:12]=[C:13]([CH:15]([OH:20])[C:16]([F:19])([F:18])[F:17])[CH:14]=2)[C:5]([O:7][C:8]([CH3:11])([CH3:10])[CH3:9])=[O:6])=[N:27][CH:28]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

5

反応物 2

HCID 59539580Tert-butyl 3-bromo-5-(2,2,2-trifluoro-1-hydroxyethyl)benzoateHCID 178427808HCID 178427808、化合物2 回

生成物 1

HCID 68500334Tert-butyl 3-(5-methylpyridin-2-yl)-5-(2,2,2-trifluoro-1-hydroxyethyl)benzoate

試薬・触媒・溶媒 2

HCID 178418851HCID 178418851、化合物触媒2 回HCID 312751,4-Dioxane溶媒

反応条件

温度
70 °C

実験手順

To a solution of tert-butyl 3-bromo-5-(2,2,2-trifluoro-1-hydroxyethyl)benzoate (5.0 g, 14.1 mmol) and bis(tri-tert-butylphosphine)palladium(0) (0.22 g, 0.42 mmol) in dioxane (70 mL) was added 5-methyl-2-pyridylzinc bromide (0.5 M in THF; 56.3 mL, 28.2 mmol). The reaction mixture was heated to 70° C. After 1 h, additional 5-methyl-2-pyridylzinc bromide (0.5 M in THF; 10 mL, 5.0 mmol) and bis(tri-tert-butylphosphine)palladium(0) (40 mg, 0.078 mmol) were added. After 30 min, the reaction was concentrated. Saturated aqueous sodium potassium tartrate tetrahydrate and saturated aqueous sodium bicarbonate were added. The mixture was extracted with ethyl acetate (3×). The combined organic extracts were washed with brine, dried over sodium sulfate, filtered and concentrated. Purification by silica gel chromatography (100% hexanes→70% hexanes/ethyl acetate) gave the title compound. MS 368.2 (M+1).

後処理

  1. waitAfter 30 min
  2. concentrationthe reaction was concentrated
  3. additionSaturated aqueous sodium potassium tartrate tetrahydrate and saturated aqueous sodium bicarbonate were added
  4. extractionThe mixture was extracted with ethyl acetate (3×)
  5. washThe combined organic extracts were washed with brine
  6. dry with materialdried over sodium sulfate
  7. filtrationfiltered
  8. concentrationconcentrated
  9. customPurification by silica gel chromatography (100% hexanes→70% hexanes/ethyl acetate)

出典と根拠

ORDレコード
ord-84c672b5097f4cbe81c742a78935b181
出典データセット
uspto-grants-2012_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08247401B2

反応ノート

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