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Borane;tetrahydrofuran → 3-Chloro-4-(hydroxymethyl)phenol

HRID 1946306
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HRID 1946306 반응식
O.[Cl:2][C:3]1[CH:11]=[C:10]([OH:12])[CH:9]=[CH:8][C:4]=1[C:5](O)=[O:6].B.O1CCCC1>C1COCC1>[Cl:2][C:3]1[CH:11]=[C:10]([OH:12])[CH:9]=[CH:8][C:4]=1[CH2:5][OH:6]
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참가 물질

4

반응물 2

HCID 2723981Borane;tetrahydrofuranHCID 533954432-Chloro-4-hydroxybenzoic acid hydrate

생성물 1

HCID 212878153-Chloro-4-(hydroxymethyl)phenol수율 110.2%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

To a solution of 2-chloro-4-hydroxybenzoic acid hydrate (5.0 g, 26.2 mmol, Acros) in THF (80 ml) was added dropwise 1 M borane-tetrahydrofuran complex (50 ml, 50 mmol, Aldrich) at ambient temperature under nitrogen. The resulting suspension was stirred at ambient temperature for 20 min and then heated to 80° C. for 1.5 h. To the reaction at ambient temperature was added a further amount of 1 M borane-tetrahydrofuran (20 ml, 20 mmol) and the suspension heated to 80° C. for 1 h. The solution was allowed to cool to ambient temperature and then carefully quenched by dropwise addition of methanol (40 ml). The solution was heated to 80° C. for 40 min. The solvent was removed in vacuo and the residue applied to a 50 g aminopropyl cartridge (pre-washed with methanol). The cartridge was eluted with methanol and the combined methanol fractions concentrated in vacuo to leave a white solid (4.58 g). A portion of the semi-crude material (1.5 g) was pre-absorbed on florosil and purified on silica (100 g) using 0-100% ethyl acetate-cyclohexane. The appropriate fractions were combined and evaporated in vacuo to give the title compound as a white solid (0.92 g); LCMS: (System 4) (M-H)−=157, tRET=1.29 min.

후처리

  1. temperatureheated to 80° C. for 1.5 h
  2. customTo the reaction at ambient temperature
  3. temperaturethe suspension heated to 80° C. for 1 h
  4. temperatureto cool to ambient temperature
  5. customcarefully quenched by dropwise addition of methanol (40 ml)
  6. temperatureThe solution was heated to 80° C. for 40 min
  7. customThe solvent was removed in vacuo
  8. washthe residue applied to a 50 g aminopropyl cartridge (pre-washed with methanol)
  9. washThe cartridge was eluted with methanol
  10. concentrationthe combined methanol fractions concentrated in vacuo

출처 및 근거

ORD 기록
ord-17a7d1d506d74500b8a94f785bf6fc3a
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08399436B2

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