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Tetrabutylammonium Fluoride → 2-Methylbenzofuran-5-carbonitrile

HRID 710395
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 710395
[OH:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[C:10]#[C:11][CH3:12].CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C1COCC1.O1CCOCC1>[CH3:12][C:11]1[O:1][C:2]2[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=2[CH:10]=1
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Komponenten

5

Edukt 2

HCID 2724141Tetrabutylammonium FluorideHCID 667265934-Hydroxy-3-(prop-1-ynyl)benzonitrile

Produkt 1

HCID 136630382-Methylbenzofuran-5-carbonitrileAusbeute 100 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 8028TetrahydrofuranLösungsmittelHCID 312751,4-DioxaneLösungsmittel

Versuchsvorschrift

A mixture of the product of Step B (0.16 g; 1.02 mmol) and 1M TBAF in THF (0.1 ml) in dioxane (3 ml) was refluxed for 1 h under N2. After cooling to room temperature the solvents were removed under reduced pressure and the residue was filtered through a small pad of SiO2, washed with fresh CH2Cl2 (3×15 ml). The combined organic phase was evaporated to dryness to give 2-methylbenzofuran-5-carbonitrile (0.16 g; 100%), as greyish solid. This was dissolved in dioxane (5 ml) and KOH (0.2 g; 3.6 mmol) was added, followed by H2O (1 ml). The resulting mixture was refluxed overnight, cooled to room temperature and solvents were removed under reduced pressure. The residue was diluted to 1 ml with H2O. The insoluble material was filtered off, washed with fresh H2O, and combined filtrates were acidified to pH˜5 with concentrated citric acid. The solid formed was filtered off, dissolved in EtOAc (10 ml), dried over anhydrous MgSO4, filtered and filtrate evaporated to dryness to give title compound (0.08 g; 44%) as creamy solid. 1H-NMR (CDCl3) 2.47 (s, 3H); 6.42 (s, 1H); 7.43 (d, 1H, J=8.6 Hz); 7.99 (dd, 1H, J=1.6, 8.6 Hz); 8.26 (d, 1H, J=1.6 Hz).

Aufarbeitung

  1. temperaturewas refluxed for 1 h under N2
  2. customwere removed under reduced pressure
  3. filtrationthe residue was filtered through a small pad of SiO2
  4. washwashed with fresh CH2Cl2 (3×15 ml)
  5. customThe combined organic phase was evaporated to dryness

Quellen und Nachweise

ORD-Eintrag
ord-a641e4c805824668b8faee50bd1cd2ed
Quelldatensatz
uspto-grants-2015_11
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09181182B2

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