5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid Chemical Properties

Melting point:

165 °C (dec.)

Boiling point:

396.4±22.0 °C(Predicted)

Density 

1.59±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

1.20±0.25(Predicted)

color 

Light yellow to Yellow to Orange

InChI

InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)

InChIKey

SEPCYCDQJZTPHO-UHFFFAOYSA-N

SMILES

C1(SC)=NC=C(Cl)C(C(O)=O)=N1

CAS DataBase Reference

61727-33-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36-37/38-36/37/38

Safety Statements 

26-36/37-37/39

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

2933599590

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:SigmaAldrich

5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid Usage And Synthesis

Uses

5-Chloro-2-(methylthio)-4-pyrimidinecarboxylic acid is a synthetic intermediate in the preparation of GSK3β inhibitors and non-nucleoside reverse transcriptase inhibitors for treating HIV infection.

Synthesis

Dissolve S-methylthiourea sulfate (30.0 g) in a warm solution of viscochloric acid (18.3 g) in water (430 mL) and cool to 18??C. . Triethylamine (33.0 g) was added over 1.5 hours with mechanical stirring. The next day a little concentrated hydrochloric acid was added to the solution and the resulting tar was removed by filtration. The solution was further acidified to pH = 4 to give the solid product (8.5 g, 38%), 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid in yield (8.5 g, 38%). Melting point: 167-169??C.

5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid(61727-33-1)Related Product Information

• ISOMETHIOZIN
• Pyrimidine
• CHLORODIMETHYLVINYLSILANE
• Ethyl 2-(Chlorosulfonyl)acetate
• Ascoric Acid
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• 4-Pyrimidinecarboxylic acid
• 4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
• AKOS BBS-00001671
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• AKOS BBS-00001997
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• AKOS BBS-00001669
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