1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER Chemical Properties

Melting point:

136-144°C

Density 

1.37±0.1 g/cm3(Predicted)

storage temp. 

2-8°C

pka

6.48±0.50(Predicted)

Appearance

White to off-white Solid

InChI

InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)

InChIKey

HDIWKNXVBQPJCO-UHFFFAOYSA-N

SMILES

C1(SC)NC(=O)C(C(OCC)=O)=CN=1

CAS DataBase Reference

53554-29-3(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2933599590

1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER Usage And Synthesis

Uses

1,4-Dihydro-2-methylmercapto-4-oxo-5-pyrimidinecarboxylic acid ethyl ester can be used as several synthetic intermediates and pharmaceutical intermediates, mainly used in laboratory research and development process and pharmaceutical and chemical production process.

Synthesis

Methylthiourea sulfate (75.2g, 0.4mol) was added to 16% NaOH (250mL, 1.18mol) solution and stirred for 30min, then diethyl ethoxymethylenemalonate (103.4g, 0.48 mol) was dissolved in 160 mL of ethanol and slowly dropped into the reaction solution. After the dropwise addition was completed, the reaction was carried out at room temperature for 10 h.When a large amount of white solid was precipitated, carry out suction filtration, wash with water, and vacuum dry to obtain a white solid (84.7g, 99.7%); ESE-MS (m/z): 249[M+H]+, 236.9[M+Na]+ , after verification, the product is 1,4-dihydro-2-methylmercapto-4-oxo-5-pyrimidinecarboxylic acid ethyl ester.

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