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Hydrochloric Acid → 2,3-Dimethylphenylboronic acid

HRID 51013
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HRID 51013 반응식
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[C:3]=1[CH3:9].C([Li])(C)(C)C.CCCCC.[B:20](OC(C)C)([O:25]C(C)C)[O:21]C(C)C.Cl>C1COCC1>[CH3:9][C:3]1[C:4]([CH3:8])=[CH:5][CH:6]=[CH:7][C:2]=1[B:20]([OH:25])[OH:21]
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참가 물질

7

반응물 5

HCID 313Hydrochloric AcidHCID 8003PentaneHCID 21531Triisopropyl borateHCID 684723-Bromo-o-xyleneHCID 178418306HCID 178418306, 화합물

생성물 1

HCID 27733952,3-Dimethylphenylboronic acid수율 185.2%

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매

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온도
-78 °C

실험 절차

To a solution of 3-bromo-o-xylene (500 mg, 2.7 mmol) in THF (15 mL) at −78° C. under N2 was slowly added 1.7 M tert-butyl lithium in pentane (1.77 mL, 3.0 mmol). This was stirred at −78° C. for 30 m. To the reaction mixture was added B(OiPr)3 (2.05 g, 11 mmol), and the reaction mixture was raised to 20° C. and stirred for 2 h. 3 N HCl (10 mL) was added to the reaction mixture and the acidic solution was stirred for 90 m. The reaction mixture was extracted using EtOAc (4×50 mL), and the organic solution was extracted using a 1 N solution of NaOH (100 mL). The aqueous solution was washed with Et2O (2×50 mL), acidified to pH 1 using concentrated HCl, and then extracted using EtOAc (4×50 mL). The organic solution was then washed with brine (100 mL), dried over MgSO4 and concentrated in vacuo to afford 2,3-dimethylphenylboronic acid compound (750 mg, 45%) as a white solid.

후처리

  1. customat −78° C.
  2. temperaturethe reaction mixture was raised to 20° C.
  3. stirringstirred for 2 h
  4. stirringthe acidic solution was stirred for 90 m
  5. extractionThe reaction mixture was extracted
  6. extractionthe organic solution was extracted
  7. washThe aqueous solution was washed with Et2O (2×50 mL)
  8. extractionextracted
  9. washThe organic solution was then washed with brine (100 mL)
  10. dry with materialdried over MgSO4
  11. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-4ebf32fe053649d997731f91acab588c
출처 데이터셋
uspto-grants-2004_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06713471B1

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