2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Chemical Properties

Melting point:

38-40 °C

Boiling point:

313.5±15.0 °C(Predicted)

Density 

1.24±0.1 g/cm3(Predicted)

pka

-0.77±0.22(Predicted)

InChI

InChI=1S/C8H10N2O2S/c1-3-12-7(11)6-4-9-8(13-2)10-5-6/h4-5H,3H2,1-2H3

InChIKey

LVNRRUKCFUSBDL-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

73781-88-1(CAS DataBase Reference)

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HS Code 

29335990

2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Usage And Synthesis

Synthesis

To the stirred solution of ethyl 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylate (4.0 g, 17.2 mmol) in ethanol in a hydrogenation vessel, Na2CO3 (1.4 g, 16.7 mmol) and 10% Pd-C (2.0 g) were added and degassed for about 10 min. The reaction mixture was kept in a hydrogenation parr shaker (60 psi) for 48 h. The reaction mixture was filtered through the elite, washed with ethanol, and concentrated under reduced pressure to get 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester as a pale yellow liquid (3.3 g. yield: 98.2 g, %).

2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester(73781-88-1)Related Product Information

• ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
• Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate
• 1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
• Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate
• 5-Pyrimidinecarboxylic acid
• NICKEL AND VANADIUM IN RESIDUAL FUEL OIL
• ETHYL 2-(METHYLSULFANYL)-4-MORPHOLINO-5-PYRIMIDINECARBOXYLATE
• ETHYL 2-(METHYLSULFANYL)-4-PIPERIDINO-5-PYRIMIDINECARBOXYLATE
• ETHYL 4-(BENZYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
• ETHYL 4-(4-CHLOROANILINO)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
• {[4-AMINO-5-(ETHOXYCARBONYL)PYRIMIDIN-2-YL]THIO}ACETIC ACID
• 5-CARBETHOXY-4-CHLORO-2-ETHYL-MERCAPTOPYRIMIDINE
• ETHYL 4-(METHYLAMINO)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
• BUTTPARK 21\09-21
• RARECHEM AL FH 0049
• RARECHEM AL FB 0074
• RARECHEM AL FF 0030
• 2-ETHYLMERCAPTO-5-CARBETHOXY-4-THIOCYANOPYRIMIDINE