ChemicalBook--->CAS DataBase List--->4558-59-2

4558-59-2

4558-59-2 Structure

4558-59-2 Structure
IdentificationBack Directory
[Name]

4,6-diMethoxypyriMidine-5-carbaldehyde
[CAS]

4558-59-2
[Synonyms]

4,6-diMethoxypyriMidine-5-carbaldehyde
4,6-Dimethoxy-5-pyrimidinecarboxaldehyde
5-Pyrimidinecarboxaldehyde, 4,6-dimethoxy-
[Molecular Formula]

C7H8N2O3
[MDL Number]

MFCD01912557
[MOL File]

4558-59-2.mol
[Molecular Weight]

168.15
Chemical PropertiesBack Directory
[Melting point ]

142-143℃ (water ethanol )
[Boiling point ]

335.9±37.0 °C(Predicted)
[density ]

1.240±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-0.22±0.26(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

Methanol

67-56-1

4,6-Dichloro-5-pyrimidinecarbaldehyde

5305-40-8

4,6-diMethoxypyriMidine-5-carbaldehyde

4558-59-2

4,6-Dichloropyrimidine-5-carbaldehyde (5 g, 28.25 mmol) was suspended in anhydrous methanol (100 mL). Potassium carbonate (7.8 g, 56.5 mmol) was added to the suspension and the reaction mixture was subsequently stirred at 90 °C for 1 hour. After completion of the reaction, the solvent was removed by concentration under reduced pressure to give a residue. The residue was dissolved in a solvent mixture of water (100 mL) and dichloromethane (100 mL) for liquid-liquid separation. The aqueous phase was further extracted with dichloromethane (50 mL x 3). All organic phases were combined and concentrated under reduced pressure to obtain the residue. The residue was diluted in dichloromethane/petroleum ether (1 mL/20 mL) and stirred at room temperature for 3 hours. Subsequently, the yellow solid product was collected by diafiltration. Finally, the product was purified using silica gel column chromatography (petroleum ether/ethyl acetate, 5:1, v/v) to afford 4,6-dimethoxy-5-pyrimidinecarboxaldehyde as a white solid (2.2 g, 46.3% yield).

[References]

[1] Patent: CN104513235, 2017, B. Location in patent: Paragraph 1355; 1356; 1357; 1384; 1385; 1386
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