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Triisopropyl borate → (5-Cyano-2-methylphenyl)boronic acid

HRID 2096654
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2096654
Br[C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[CH3:10])[C:5]#[N:6].[Li]CCCC.[B:16](OC(C)C)([O:21]C(C)C)[O:17]C(C)C>C1COCC1>[C:5]([C:4]1[CH:7]=[CH:8][C:9]([CH3:10])=[C:2]([B:16]([OH:21])[OH:17])[CH:3]=1)#[N:6]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 21531Triisopropyl borateHCID 140048403-Bromo-4-methylbenzonitrileHCID 178418339Butyllithium

Produkt 1

HCID 53216743(5-Cyano-2-methylphenyl)boronic acidAusbeute 27,8 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

To a stirred solution of 3-bromo-4-methylbenzonitrile (3.5 g, 17.86 mmol) in dry THF at −78° C. was added n-BuLi (2N, 10.71 mL) dropwise. The mixture was stirred for 15 min., and added triisopropyl borate (6.71 g, 35.71 mmol). The reaction flask was kept in the cooling bath for 30 min., and at room temperature for 3 hours. The solvent was removed, and the residue was dissolved in ether. The organic phase was washed with 1N HCl solution and water, dried over Na2SO4, and filtered. The filtrate was concentrated in vacuo, and the residue was crystallized from a mixture of CH2Cl2 and hexane to give 5-cyano-2-methylphenylboronic acid (800 mg, 20%). 1H-NMR (CDCl3 400 MHz): δ7.50-7.78 (m, 2H), 7.30 (d, 1H), 2.42 (s, 3H).

Aufarbeitung

  1. waitThe reaction flask was kept in the cooling bath for 30 min.
  2. waitat room temperature for 3 hours
  3. customThe solvent was removed
  4. dissolutionthe residue was dissolved in ether
  5. washThe organic phase was washed with 1N HCl solution and water
  6. dry with materialdried over Na2SO4
  7. filtrationfiltered
  8. concentrationThe filtrate was concentrated in vacuo
  9. customthe residue was crystallized from a mixture of CH2Cl2 and hexane

Quellen und Nachweise

ORD-Eintrag
ord-175b1a29dfc94a748fdde277ec5df216
Quelldatensatz
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08450308B2

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