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

HRID 46025
Notes
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Reaction equation

HRID 46025 reaction equation
[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]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

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

Product 1

HCID 14115754Ethyl(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetateYield 48.1%

Reagents, catalysts & solvents 1

HCID 6228DimethylformamideSolvent

Conditions

Temperature
90 °C

Procedure

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).

Workup

  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

Sources & evidence

ORD record
ord-e451706f1afb4ab0be6e93c4b0b78fb5
Source dataset
uspto-grants-2013_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08541618B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes