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Diisopropylamine → 2-Fluoro-5-methylpyridine-3-boronic acid

HRID 1621387
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1621387
C([Li])CCC.C(NC(C)C)(C)C.[F:13][C:14]1[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][N:15]=1.C([O:24][B:25](OCCC)[O:26]CCC)CC>C1COCC1>[F:13][C:14]1[C:19]([B:25]([OH:26])[OH:24])=[CH:18][C:17]([CH3:20])=[CH:16][N:15]=1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 7912DiisopropylamineHCID 12711Boric acid (H3BO3), tripropyl esterHCID 27746352-Fluoro-5-methylpyridineHCID 178418339Butyllithium

Produkt 1

HCID 447548582-Fluoro-5-methylpyridine-3-boronic acidAusbeute 94,3 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028
Tetrahydrofuran
Lösungsmittel
3×

Reaktionsbedingungen

Temperatur
-78 °C

Versuchsvorschrift

n-Butyllithium (2.5M solution in hexane, 9.6 mL, 24 mmol) was added to a mixture of diisopropylamine (3.4 mL, 24 mmol) in THF (5.00 mL, 61 mmol) at 0° C. and the resulting pale yellow solution was stirred at the same temperature for 30 min and then cooled down to −78° C. A suspension of 2-fluoro-5-methylpyridine (Aldrich, St. Louis, Mo.) (2.22 g, mmol) in THF (5.00 mL, not complete dissolved) was slowly added. The resulting bright yellow solution was stirred at −78° C. for 1 h, treated with a solution of tri-1-propylborate (6.9 mL, 30 mmol) in THF (10.00 mL) and then allowed to warm up to room temperature. The yellow suspension was quenched with 1 N NaOH until basic (pH about 10) and the organic layer was separated. The aqueous layer was collected and carefully acidified with 6N aqueous HCl until slightly acidic, and then extracted with EtOAc(×3). The combined organic layers were dried (Na2SO4), filtered and concentrated. The resulting white solid was washed with ether to give 2-fluoro-5-methylpyridin-3-ylboronic acid (2.9196 g, 94% yield) as a white solid. LCMS (API-ES) m/z 156 (M+H)+.

Aufarbeitung

  1. dissolutionnot complete dissolved)
  2. additionwas slowly added
  3. stirringThe resulting bright yellow solution was stirred at −78° C. for 1 h
  4. temperatureto warm up to room temperature
  5. customThe yellow suspension was quenched with 1 N NaOH until basic (pH about 10)
  6. customthe organic layer was separated
  7. customThe aqueous layer was collected
  8. extractionthen extracted with EtOAc(×3)
  9. dry with materialThe combined organic layers were dried (Na2SO4)
  10. filtrationfiltered
  11. concentrationconcentrated
  12. washThe resulting white solid was washed with ether

Quellen und Nachweise

ORD-Eintrag
ord-43ed9d07c9bc412bbe090493db00c50c
Quelldatensatz
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08772480B2

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