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Lithium aluminum hydride → 3-Hydroxymethylphenylboronic acid pinacol ester

HRID 1502419
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1502419
[AlH4-].[Li+].C[C:4]1[CH:12]=[CH:11][C:7]([C:8](O)=[O:9])=[CH:6][C:5]=1[B:13]1[O:17][C:16]([CH3:19])([CH3:18])[C:15]([CH3:21])([CH3:20])[O:14]1>O1CCCC1>[CH3:18][C:16]1([CH3:19])[C:15]([CH3:20])([CH3:21])[O:14][B:13]([C:5]2[CH:6]=[C:7]([CH2:8][OH:9])[CH:11]=[CH:12][CH:4]=2)[O:17]1
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Komponenten

4

Edukt 2

HCID 28112Lithium aluminum hydrideHCID 160860864-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Produkt 1

HCID 441182363-Hydroxymethylphenylboronic acid pinacol esterAusbeute 78,6 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel

Reaktionsbedingungen

Temperatur
0 °C

Versuchsvorschrift

Lithium tetrahydroaluminate (1.0M solution in tetrahydrofuran, 6.1 mL, 6.0 mmol) was added dropwise to a solution of 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid (0.4 g, 1.5 mmol) in tetrahydrofuran (6 mL) cooled at 0° C. The reaction mixture was warmed to room temperature, stirred for 2 hours, and then quenched via dropwise addition of saturated aqueous ammonium chloride solution (1 mL). The reaction mixture was diluted with ethyl acetate (50 mL) and washed with water (50 mL). The organic layer was separated, dried over sodium sulfate, filtered, and evaporated in vacuo to afford a residue that was purified by flash chromatography (silica, 12 g, ISCO, 0-100% ethyl acetate in heptane) to afford the title compound as a white solid (276 mg, 61%). 1H NMR (400 MHz, CDCl3) δ 7.73 (d, J=1.3 Hz, 1H), 7.32 (dd, J=7.8, 1.8 Hz, 1H), 7.16 (d, J=7.8 Hz, 1H), 4.63 (s, 2H), 3.01 (s, 1H), 2.52 (s, 3H), 1.34 (s, 12H).

Aufarbeitung

  1. temperatureThe reaction mixture was warmed to room temperature
  2. customquenched via dropwise addition of saturated aqueous ammonium chloride solution (1 mL)
  3. additionThe reaction mixture was diluted with ethyl acetate (50 mL)
  4. washwashed with water (50 mL)
  5. customThe organic layer was separated
  6. dry with materialdried over sodium sulfate
  7. filtrationfiltered
  8. customevaporated in vacuo
  9. customto afford a residue that
  10. customwas purified by flash chromatography (silica, 12 g, ISCO, 0-100% ethyl acetate in heptane)

Quellen und Nachweise

ORD-Eintrag
ord-77392b751e8b46c8ae44ac30d3e28ad2
Quelldatensatz
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09206175B2

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