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

CAS NO.：73781-88-1
Empirical Formula: C8H10N2O2S
Molecular Weight: 198.24
MDL number: MFCD07779178
EINECS: 1533716-785-6
SAFETY DATA SHEET (SDS)
Update Date: 2023-12-06 15:20:02

What is 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester?

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, %).

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

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
CAS DataBase Reference	73781-88-1(CAS DataBase Reference)

Safety information for 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H312:Acute toxicity,dermal H318:Serious eye damage/eye irritation H332:Acute toxicity,inhalation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.