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Boron tribromide → 2-Chloro-6-hydroxyquinoline-3-carbaldehyde

HRID 2403687
ノート
印刷プレビュー

反応式

HRID 2403687 の反応式
[Cl:1][C:2]1[C:11]([CH:12]=[O:13])=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([O:14]C)[CH:8]=2)[N:3]=1.B(Br)(Br)Br.C(=O)(O)[O-].[Na+]>ClCCl>[Cl:1][C:2]1[C:11]([CH:12]=[O:13])=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([OH:14])[CH:8]=2)[N:3]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 25134Boron tribromideHCID 516892Sodium BicarbonateHCID 6890792-Chloro-6-methoxyquinoline-3-carbaldehyde

生成物 1

HCID 210510652-Chloro-6-hydroxyquinoline-3-carbaldehyde収率 61.1%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

To a −78° C. mixture of 2-chloro-6-methoxyquinoline-3-carbaldehyde (4.64 g, 20.9 mmol) in dichloromethane (130 mL) was added boron tribromide (4.0 mL, 42 mmol). The mixture was allowed to warm to room temperature and stir for 4 hours. The reaction was neutralized by the careful addition of saturated aqueous sodium bicarbonate. The mixture was then extracted with 2-methyl tetrahydrofuran (3×). The combined organics were filtered, and the filtrate was washed with saturated aqueous sodium bicarbonate (3×) and once with brine. The organics were dried over sodium sulfate, filtered, and concentrated to a yellow solid. The solid was partially dissolved in 2-methyl tetrahydrofuran and filtered. The filtrate was concentrated to a solid and again partially dissolved in 2-methyl tetrahydrofuran, filtered, and concentrated. Purification by flash column chromatography (10-100% ethyl acetate/heptanes) gave the title compound (2.65 g, 61%) as a pale yellow solid. +ESI (M+H) 208.1; 1H NMR (400 MHz, CDCl3, δ): 10.54 (s, 1 H), 8.59 (s, 1 H), 7.98 (d, J=9.17 Hz, 1 H), 7.47 (dd, J=9.17, 2.73 Hz, 1 H), 7.25 (d, J=2.93 Hz, 1 H), 5.57 (br. s., 1 H).

後処理

  1. extractionThe mixture was then extracted with 2-methyl tetrahydrofuran (3×)
  2. filtrationThe combined organics were filtered
  3. washthe filtrate was washed with saturated aqueous sodium bicarbonate (3×) and once with brine
  4. dry with materialThe organics were dried over sodium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated to a yellow solid
  7. dissolutionThe solid was partially dissolved in 2-methyl tetrahydrofuran
  8. filtrationfiltered
  9. concentrationThe filtrate was concentrated to a solid
  10. dissolutionagain partially dissolved in 2-methyl tetrahydrofuran
  11. filtrationfiltered
  12. concentrationconcentrated
  13. customPurification by flash column chromatography (10-100% ethyl acetate/heptanes)

出典と根拠

ORDレコード
ord-b39656a02e5b46f49aca6f2e7d65fdf4
出典データセット
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08802688B2

反応ノート

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