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23000-12-6

23000-12-6 Structure

23000-12-6 Structure
IdentificationBack Directory
[Name]

Ethanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI)
[CAS]

23000-12-6
[Synonyms]

1-(2,5-DiMethyloxazol-4-yl)ethanone
1-(2,5-Dimethyl-4-Oxazolyl) Ethanone
Ethanone, 1-(2,5-dimethyl-4-oxazolyl)-
1-(2,5-dimethyloxazol-4-yl)ethan-1-one
Ethanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI)
[Molecular Formula]

C7H9NO2
[MOL File]

23000-12-6.mol
[Molecular Weight]

139.15
Chemical PropertiesBack Directory
[Melting point ]

49 °C
[Boiling point ]

93 °C(Press: 30 Torr)
[density ]

1.074±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

0.11±0.10(Predicted)
[Appearance]

White to light yellow Solid
Spectrum DetailBack Directory
[Spectrum Detail]

Ethanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI)(23000-12-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-(2,5-dimethyloxazol-4-yl)ethanol

940879-48-1

Ethanone, 1-(2,5-dimethyl-4-oxazolyl)- (9CI)

23000-12-6

The general procedure for the synthesis of 1-(2,5-dimethyl-4-oxazolyl)vinyl ketone, using the compound (CAS: 940879-48-1) as starting material, was as follows: first, 1-(2,5-dimethyloxazol-4-yl)ethanol (1.2 g, 8.50 mmol) was mixed with MnO2 (3.70 g, 42.5 mmol) in chloroform (85 mL). Subsequently, the reaction mixture was heated and stirred at 75 °C for 12 hours. Upon completion of the reaction, it was filtered through a diatomaceous earth pad to remove solid impurities. The filtrate was concentrated under reduced pressure to afford 1-(2,5-dimethyloxazol-4-yl)ethanone (750 mg, 5.39 mmol, 63.4% yield), the product was a light yellow oil, which solidified to a solid on standing. The NMR hydrogen spectrum (500 MHz, CDCl3) data of the product were as follows: δ 2.59 (s, 3H), 2.52 (s, 3H), 2.46 (s, 3H).

[References]

[1] Patent: WO2014/98831, 2014, A1. Location in patent: Page/Page column 56
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