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4-Isobutylbenzoic acid → Ethyl 5-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]pyrazine-2-carboxylate

HRID 2242224
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2242224
[CH2:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9]([OH:11])=O)=[CH:7][CH:6]=1)[CH:2]([CH3:4])[CH3:3].ON1C2C=CC=CC=2N=N1.F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.C(N(C(C)C)CC)(C)C.[NH2:55][C:56](=[N:68]O)[C:57]1[N:58]=[CH:59][C:60]([C:63]([O:65][CH2:66][CH3:67])=[O:64])=[N:61][CH:62]=1>O1CCOCC1>[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]([C:9]2[O:11][N:55]=[C:56]([C:57]3[N:58]=[CH:59][C:60]([C:63]([O:65][CH2:66][CH3:67])=[O:64])=[N:61][CH:62]=3)[N:68]=2)=[CH:12][CH:13]=1)[CH:2]([CH3:3])[CH3:4]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 5

HCID 381114-Isobutylbenzoic acidHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 136368376Ethyl 5-[amino(hydroxyimino)methyl]pyrazine-2-carboxylate

Produkt 1

HCID 59204302
Ethyl 5-[5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl]pyrazine-2-carboxylate
Ausbeute 27,1 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 312751,4-DioxaneLösungsmittel

Versuchsvorschrift

A mixture of 4-isobutylbenzoic acid (0.28 g, 1.59 mmol), 1-hydroxybenzotriazole (0.042 g, 0.31 mmol), N-[(1H-1,2,3-benzotriazol-1-yloxy)(dimethylamino)methylene]-N-methylmethanaminium tetrafluoroborate (0.51 g, 1.59 mmol), diisopropylethylamine (1.4 mL, 7.86 mmol) and dioxane (4 mL) was stirred at room temperature for 1 hour. Ethyl 5-[amino(hydroxyimino)methyl]pyrazine-2-carboxylate (0.33 g, 1.57 mmol) was added to the reaction mixture, stirred for 1.5 hours at room temperature and 6 hours at 100° C. The reaction mixture was cooled to room temperature, quenched with H2O (10 mL) and filtered. The precipitate was dissolved in EtOAc (10 mL), washed with 1N NaOH (3×10 mL) and brine (2×10 mL), dried (Na2SO4), filtered and concentrated in vacuo to yield the title compound (0.15 g, 27%) as a white solid.

Aufarbeitung

  1. stirringstirred for 1.5 hours at room temperature and 6 hours at 100° C
  2. temperatureThe reaction mixture was cooled to room temperature
  3. customquenched with H2O (10 mL)
  4. filtrationfiltered
  5. dissolutionThe precipitate was dissolved in EtOAc (10 mL)
  6. washwashed with 1N NaOH (3×10 mL) and brine (2×10 mL)
  7. dry with materialdried (Na2SO4)
  8. filtrationfiltered
  9. concentrationconcentrated in vacuo

Quellen und Nachweise

ORD-Eintrag
ord-7ac23ec1106e409ca21bba6bb7fe27f3
Quelldatensatz
uspto-grants-2010_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07671043B2

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