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

2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Structure
CAS No.
73781-88-1
Chemical Name:
2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester
Synonyms
ETHYL-2-THIOM;2-(Methylthio)-5-pyr;ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CAROXYLATE;ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CARBOXYLATE;ETHYL 2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE;Ethyl 2-(methylthio)-5-pyrimidinecarboxylate;Ethyl (2-methylthio)-5-pyrimidine canboxylate;2-Methylsulfanyl-pyriMidine-5-carboxylic acid;2-METHYLTHIO-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER;2-methylthio-5-pyrimidinecarboxulic acid ethyl ester
CBNumber:
CB6208354
Molecular Formula:
C8H10N2O2S
Molecular Weight:
198.24
MOL File:
73781-88-1.mol
Modify Date:
2023/12/6 15:20:02

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

Risk and Safety Statements

Symbol(GHS) 
GHS05,GHS07
Signal word  Danger
Hazard statements  H302-H312-H318-H332
Precautionary statements  P280-P305+P351+P338
Risk Statements  36/37/38
Safety Statements  26-36/37/39
HS Code  29335990

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

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

2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CARBOXYLATE Ethyl 2-(methylthio)-5-pyrimidinecarboxylate ETHYL 2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE 2-METHYLTHIO-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CAROXYLATE 2-(Methylthio)-5-pyr Ethyl 2-(methylsulphanyl)pyrimidine-5-carboxylate, Ethyl 2-(methylmercapto)pyrimidine-5-carboxylate 2-Methylsulfanyl-pyriMidine-5-carboxylic acid Ethyl (2-methylthio)-5-pyrimidine canboxylate 2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester ISO 9001:2015 REACH 5-Pyrimidinecarboxylic acid, 2-(methylthio)-, ethyl ester 2-methylthio-5-pyrimidinecarboxulic acid ethyl ester ETHYL-2-THIOM 73781-88-1 C8H10N2O2S Heterocycles Heterocyclic Compound