4,6-Dimethyl-2-mercaptopyrimidine Chemical Properties

Melting point:

213-216 °C (dec.)(lit.)

Boiling point:

212.9±23.0 °C(Predicted)

Density 

1.160 (estimate)

refractive index 

1.5047 (estimate)

storage temp. 

Sealed in dry,Room Temperature

form 

solid

pka

8.46±0.10(Predicted)

color 

White to Yellow

BRN 

81330

InChI

InChI=1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)

InChIKey

RAFAYWADRVMWFA-UHFFFAOYSA-N

SMILES

C1(=S)NC(C)=CC(C)=N1

CAS DataBase Reference

22325-27-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

RTECS 

UW5650000

HS Code 

29335995

MSDS

• Language:English Provider:2-Mercapto-4,6-dimethylpyrimidine
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4,6-Dimethyl-2-mercaptopyrimidine Usage And Synthesis

Chemical Properties

Yellow fine crystalline powder

Synthesis Reference(s)

Tetrahedron Letters, 37, p. 2035, 1996 DOI: 10.1016/0040-4039(96)00211-0

Synthesis

Thiourea (19 g, 0.25 mol) and acetylacetone (25.8 mL, 0.25 mol) were mixed in 125 mL of ethanol in a reaction flask. The reaction mixture was refluxed in a water bath for 2 hours. After cooling slightly, 33.5 mL of concentrated hydrochloric acid was added slowly through a funnel and the reflux heating was continued until the reaction was completed. At the end of the reaction, yellow crystals were obtained by filtration. After removing the solvent, the remaining solution was heated and dissolved with 10% NaOH solution. The pH of the solution was adjusted to about 7, and then cooled at room temperature to obtain 4,6-dimethylpyrimidine-2-thiol as pale yellow acicular crystals with 80.22% yield and melting point of 209-211 °C (literature value 210 °C).

References

[1] Bollettino chimico farmaceutico, 2004, vol. 143, # 7, p. 275 - 279
[2] Patent: CN105585538, 2016, A. Location in patent: Paragraph 0024
[3] Patent: CN105859693, 2016, A. Location in patent: Paragraph 0021
[4] Patent: CN105622599, 2016, A. Location in patent: Paragraph 0022
[5] Zeitschrift fur Anorganische und Allgemeine Chemie, 2015, vol. 641, # 7, p. 1301 - 1306

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