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ChemicalBook--->CAS DataBase List--->53554-29-3

53554-29-3

53554-29-3 Structure

53554-29-3 Structure
IdentificationMore
[Name]

1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
[CAS]

53554-29-3
[Synonyms]

1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidine-1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidine-
1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
BUTTPARK 21\07-73
Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidine-
1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER >98%
5-PYRIMIDINECARBOXYLICACID,1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-,ETHYLESTER
ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
Ethyl 1,4-dihydro-2-(methylthio)-4-oxopyrimidine-5-carboxylate
[Molecular Formula]

C8H10N2O3S
[MDL Number]

MFCD00023234
[Molecular Weight]

214.24
[MOL File]

53554-29-3.mol
Chemical PropertiesBack Directory
[Melting point ]

136-144°C
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

6.48±0.50(Predicted)
[CAS DataBase Reference]

53554-29-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium-->Phosphorus oxychloride-->Potassium hydroxide-->Acetic anhydride-->Benzene-->Triethyl orthoformate-->Diethyl malonate-->2-Methyl-2-thiopseudourea sulfate-->Diethyl ethoxymethylenemalonate
[Preparation Products]

5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]--->4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid
Hazard InformationBack Directory
[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.
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

53554-29-3(sigmaaldrich)
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