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Bromine → 2,3,5-Tribromo-4-methoxy-aniline

HRID 712186
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HRID 712186 반응식
[Br:1][C:2]1[CH:3]=[C:4]([CH:6]=[C:7]([Br:11])[C:8]=1[O:9][CH3:10])[NH2:5].[Br:12]Br>C(Cl)Cl>[Br:12][C:3]1[C:2]([Br:1])=[C:8]([O:9][CH3:10])[C:7]([Br:11])=[CH:6][C:4]=1[NH2:5]
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참가 물질

4

반응물 2

HCID 24408BromineHCID 133995503,5-Dibromo-4-methoxyaniline

생성물 1

HCID 133995512,3,5-Tribromo-4-methoxy-aniline

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

3,5-Dibromo-4-methoxy-aniline (13.04 g, 46.42 mmol) was dissolved in DCM (500 mL) and a solution of bromine (2.38 mL, 46.42 mmol) in DCM (80 mL) was added dropwise. A thick, beige precipitate formed. After 45 minutes, the mixture was quenched with NaHCO3 solution (saturated, aq) to pH 9, the layers separated and the aqueous layer extracted into DCM (3×50 mL). The combined organic phase was washed with brine, dried over Na2SO4 and concentrated to dryness under reduced pressure to give a brown solid. The mixture was purified by chromatography, Biotage SP4, 2×120 g Si cartridges in series, 10-50% EtOAc in cyclohexane. The relevant fractions were combined to give 2,3,5-tribromo-4-methoxy-aniline which was contaminated with some 2,3,5,6-tetrabromo-4-methoxy-aniline (12.64 g). The column was eluted further to give recovered starting material 3,5-dibromo-4-methoxy-aniline (2.84 g). The recovered starting material, 3,5-dibromo-4-methoxy-aniline (2.84 g, 10.11 mmol) was dissolved in DCM (100 mL) and a solution of bromine (0.52 mL, 10.11 mmol) in DCM (5 mL) was added dropwise. The mixture was stirred at rt for 2.5 h. The mixture was quenched with NaHCO3 solution (saturated, aq) to pH 9, the layers separated and the aqueous layer extracted into DCM (3×50 mL). The combined organic phase was dried over Na2SO4 and concentrated to dryness under reduced pressure. This material was combined with the impure 2,3,5-tribromo-4-methoxy-aniline and purified by chromatography, Biotage SP4, 330 g Si cartridge, 10% EtOAc in cyclohexane. The relevant fractions were combined to give the desired compound as an orange oil, 9.95 g (60%). m/z: 357.93/359.89/361.90/363.84 [M+H]+.

후처리

  1. customA thick, beige precipitate formed
  2. customthe mixture was quenched with NaHCO3 solution (saturated, aq) to pH 9
  3. customthe layers separated
  4. extractionthe aqueous layer extracted into DCM (3×50 mL)
  5. washThe combined organic phase was washed with brine
  6. dry with materialdried over Na2SO4
  7. concentrationconcentrated to dryness under reduced pressure
  8. customto give a brown solid
  9. customThe mixture was purified by chromatography, Biotage SP4, 2×120 g Si cartridges in series, 10-50% EtOAc in cyclohexane

출처 및 근거

ORD 기록
ord-b4a09c9298274ea0ad5c9ca8e223b498
출처 데이터셋
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09181234B2

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