4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile Chemical Properties

Melting point:

222-224℃ (isopropanol )

Density 

1.42±0.1 g/cm3 (20 ºC 760 Torr)

storage temp. 

Sealed in dry,Room Temperature

pka

5.38±0.50(Predicted)

Appearance

Light yellow to yellow Solid

InChI

InChI=1S/C6H5N3OS/c1-11-6-8-3-4(2-7)5(10)9-6/h3H,1H3,(H,8,9,10)

InChIKey

XTLKENCFQIAAJK-UHFFFAOYSA-N

SMILES

C1(SC)NC(=O)C(C#N)=CN=1

Safety Information

Risk Statements 

20/21/22-36/37/38

Safety Statements 

22-26-36/37/39

RIDADR 

3439

HS Code 

29335990

4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile Usage And Synthesis

Chemical Properties

White solid

Synthesis

2-Methyl-2-isothiourea (5 mmol) and ethyl ethoxycarbonylcyanoacetate (5 mmol) were dissolved in 20 mL of ethanol. Potassium carbonate (10 mmol) was added to the solution. The reaction mixture was refluxed for 48 hours, followed by cooling to room temperature and filtration. The filtrate was concentrated under reduced pressure and purified by column chromatography to afford 4-hydroxy-2-(methylthio)pyrimidine-5-carbonitrile in 65% yield.

References

[1] Patent: US2008/255172, 2008, A1. Location in patent: Page/Page column 70

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