P-Xylene → 1,3-Difluoro-5-[2-(4-fluorophenyl)ethenyl]benzene

HRID 78877

Reaktionsgleichung

Reaktionsgleichung von HRID 78877
CC1C=CC(C)=CC=1.[F:9][C:10]1[CH:11]=[C:12]([CH:16]=[C:17]([F:19])[CH:18]=1)[C:13](Cl)=O.[F:20][C:21]1[CH:28]=[CH:27][C:24]([CH:25]=C)=[CH:23][CH:22]=1.CN1CCOCC1>CC([O-])=O.CC([O-])=O.[Pd+2].[Cl-].C(C1C=CC=C(C(C)C)C=1[NH+]1CCN(C2C(C(C)C)=CC=CC=2C(C)C)C1)(C)C.CCOC(C)=O>[F:9][C:10]1[CH:11]=[C:12]([CH:13]=[CH:25][C:24]2[CH:27]=[CH:28][C:21]([F:20])=[CH:22][CH:23]=2)[CH:16]=[C:17]([F:19])[CH:18]=1

Komponenten

8

Reaktionsbedingungen

Temperatur
120 °C

Versuchsvorschrift

A 25 mL round bottom flask was charged with p-xylene (10 mL), Pd(OAc)2 (11.3 mg, 0.05 mmol), 1,3-bis-(2,6-diisopropylphenyl)imidazolinium chloride (21.4 mg, 0.05 mmol), 3,5-difluorobenzoyl chloride (0.89 g, 5 mmol), 4-fluorostyrene (0.74 g, 6 mmol), and N-methyl morpholine (0.69 g, 6 mmol). The mixture was stirred at 120° C. for 3.5 h under nitrogen atmosphere. Then it was cooled to room temperature and EtOAc was added and filtered. The filtrate was washed with brine and dried over Na2SO4. Then it was filtered and purified via flash chromatography and gave the product (0.94 g, 80%) as white solid. Data are: 1H NMR (CDCl3, 300 MHz) δ 7.47 (m, 2H), 7.08-6.88 (m, 6H), 6.70 (tt, 1H); 13C NMR (CDCl3, 75 MHz) δ 163.52 (dd), 162.98 (d), 140.82 (t), 132.77, 130.26, 128.58 (d), 126.53, 116.03 (d), 109.20 (q), 102.98 (t); 19F NMR (CDCl3, 282 MHz) δ −31207.2 (q, 2F), −31965.6 (q, 1F); HRMS (EI+) found 234.0645 M+, calcd 234.0656 for C14H9F3.

Aufarbeitung

  1. temperatureThen it was cooled to room temperature
  2. filtrationfiltered
  3. washThe filtrate was washed with brine
  4. dry with materialdried over Na2SO4
  5. filtrationThen it was filtered
  6. custompurified via flash chromatography

Quellen und Nachweise

ORD-Eintrag
ord-d65cb79ebeeb483aa774de122614010f
Quelldatensatz
uspto-grants-2014_09
Patentnummer
US08841477B2

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