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Potassium Carbonate → 4-Chlorophenyl 3-(2-fluoropropan-2-yl)isoxazol-5-ylcarbamate

HRID 871621
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 871621
[F:1][C:2]([C:5]1[CH:9]=[C:8]([NH2:10])[O:7][N:6]=1)([CH3:4])[CH3:3].C(=O)([O-])[O-].[K+].[K+].Cl[C:18]([O:20][C:21]1[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=1)=[O:19]>C1COCC1>[F:1][C:2]([C:5]1[CH:9]=[C:8]([NH:10][C:18](=[O:19])[O:20][C:21]2[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=2)[O:7][N:6]=1)([CH3:4])[CH3:3]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 11430Potassium CarbonateHCID 1390594-Chlorophenyl chloroformate2×HCID 534020703-(2-Fluoropropan-2-yl)-1,2-oxazol-5-amine

Produkt 1

HCID 668775214-Chlorophenyl 3-(2-fluoropropan-2-yl)isoxazol-5-ylcarbamateAusbeute 71 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028Tetrahydrofuran
Lösungsmittel

Versuchsvorschrift

3-(2-fluoropropan-2-yl)isoxazol-5-amine (11.26 g, 78.19 mmol) described in Example 42A in THF (300 mL) was treated with potassium carbonate (21.58 g, 156 mmol) and p-chlorophenyl chloroformate (14.94 g, 78.19 mmol). After stirring at rt for 1 h, additional p-chlorophenyl chloroformate (7.5 g, 39.26 mmol) was introduced, and the reaction mixture was stirred at rt overnight. The mixture was filtered through a celite pad, washed with ethyl acetate and concentrated to dryness. The residue was taken into ethyl acetate, washed with brine, and the organics dried (MgSO4) and concentrated. The residue was purified by silica gel chromatography (eluting with 10 to 50% ethyl acetate in hexanes) to give 4-chlorophenyl 3-(2-fluoropropan-2-yl)isoxazol-5-ylcarbamate (16.51 g, 71%) as a cream solid. 1H NMR (300 MHz, CDCl3) δ 7.87 (brs, 1H), 7.36-7.41 (m, 2H), 7.13-7.17 (m, 2H), 6.27 (s, 1H), 1.74 (d, J=21 Hz, 6H); LC-MS (ESI) m/z 299 (M+H)+.

Aufarbeitung

  1. stirringthe reaction mixture was stirred at rt overnight
  2. filtrationThe mixture was filtered through a celite pad
  3. washwashed with ethyl acetate
  4. concentrationconcentrated to dryness
  5. washwashed with brine
  6. dry with materialthe organics dried (MgSO4)
  7. concentrationconcentrated
  8. customThe residue was purified by silica gel chromatography (eluting with 10 to 50% ethyl acetate in hexanes)

Quellen und Nachweise

ORD-Eintrag
ord-a05aafda311e477eacc3099dc690aa5c
Quelldatensatz
uspto-grants-2015_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08969587B2

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