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Phosphorus oxychloride → Ethyl(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetate

HRID 900533
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 900533
[C:1]([NH:9][CH:10]([CH3:19])[C:11](=[O:18])[CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])(=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O=P(Cl)(Cl)Cl.C([O-])(O)=O.[Na+]>CN(C=O)C>[CH2:16]([O:15][C:13](=[O:14])[CH2:12][C:11]1[O:18][C:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[N:9][C:10]=1[CH3:19])[CH3:17]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 3

HCID 24813Phosphorus oxychlorideHCID 516892Sodium BicarbonateHCID 21942725Ethyl 4-benzamido-3-oxopentanoate

Produkt 1

HCID 14115754Ethyl(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetateAusbeute 48,1 %

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 6228DimethylformamideLösungsmittel

Reaktionsbedingungen

Temperatur
90 °C

Versuchsvorschrift

To a crude mixture of ethyl 4-(benzoylamino)-3-oxopentanoate (0.6 g, 2.28 mmol) in DMF (4 mL) at rt, was added POCl3 (1.04 g, 6.84 mmol). The resulting solution was heated at 90° C. for 1 hour, then cooled down to rt, and poured into ice for 30 minutes. The aqueous solution was carefully added to a saturated aqueous solution of NaHCO3. Phases were separated with EtOAc and the combined organic extracts were dried over MgSO4 and solvent removed under reduced pressure. The crude material was purified on Biotage small column using a solvent gradient of 0 to 50% EtOAc/Hexane. This gave ethyl(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetate (0.269 g 48% yield) as yellowish oil. ES-MS m/z 246.2 ((MH)+); HPLC RT (min.) 2.77; 1H NMR (CDCl3) δ 8.01-7.98 (m, 2H), 7.45-7.41 (m, 3H), 4.20 (q, 2H), 3.71 (s, 2H), 2.21 (s, 3H), 1.28 (t, 3H).

Aufarbeitung

  1. temperaturecooled down to rt
  2. additionpoured into ice for 30 minutes
  3. customPhases were separated with EtOAc
  4. dry with materialthe combined organic extracts were dried over MgSO4 and solvent
  5. customremoved under reduced pressure
  6. customThe crude material was purified on Biotage small column

Quellen und Nachweise

ORD-Eintrag
ord-4db46a97be6b472a866412e89281e90b
Quelldatensatz
uspto-grants-2008_04
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07358386B2

Notizen zur Reaktion

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