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HomeProduct name list2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

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

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, %).
2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

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)
ghs
Corrosion
Corrosives
GHS05
ghs
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.

Computed Descriptors for 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester

InChIKey LVNRRUKCFUSBDL-UHFFFAOYSA-N
SMILES C1(SC)=NC=C(C(OCC)=O)C=N1

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