4,6-Dihydroxy-2-methylpyrimidine Chemical Properties

Melting point:

>300 °C (lit.)

Boiling point:

234.21°C (rough estimate)

Density 

1.3541 (rough estimate)

refractive index 

1.5090 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

Soluble in sodium hydroxide.

pka

9.42±0.20(Predicted)

form 

powder to crystal

color 

White to Light yellow to Light orange

BRN 

115646

InChI

InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9)

InChIKey

GNVCKXIBBIIFPE-UHFFFAOYSA-N

SMILES

C1(C)NC(=O)CC(=O)N=1

CAS DataBase Reference

40497-30-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

RIDADR 

1759

WGK Germany 

3

HazardClass 

8

PackingGroup 

II

HS Code 

29335995

Storage Class

13 - Non Combustible Solids

MSDS

• Language:English Provider:4,6-Dihydroxy-2-methylpyrimidine
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• Language:English Provider:SigmaAldrich
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4,6-Dihydroxy-2-methylpyrimidine Usage And Synthesis

Chemical Properties

white to light beige amorphous powder

Uses

4,6-Dihydroxy-2-methylpyrimidine is used in the preparation of 4,6-dichloro-2-methyl-pyrimidine.

Synthesis

4,6-Dihydroxy-2-methylpyrimidine was prepared as follows: in a reaction flask equipped with a mechanical stirrer, a reflux condenser, a thermometer and a dropping funnel, 200 ml of isopropanol was put into the reaction flask, 27 g (0.5 mol) of sodium methanol were poured in and heated at 40-50??C until completely dissolved, then 20 ml (0.125 mol) of malonate were added and mixed for 10-15 minutes, then 22 g (0.373 mole) of acetamide was added in batches under vigorous stirring. The reaction material was rapidly heated to boiling and boiled for 4 h. The solvent was then evaporated and 100 ml of water was added to the residue at 50-60??C. The precipitate was completely dissolved. The resulting salt solution is acidified with glacial acetic acid at 50??60??C to a pH of 5-6, slowly cooled and settled at a temperature of 18-25??C for 10 hours. The precipitated product is filtered out and washed with water (3 x 30 ml), alcohol (2 x 20 ml). 9.9 g (62.9% of the theoretical value) of 4,6-dihydroxy-2-methylpyrimidine was obtained with 95% basic substance content.

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