1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
- CAS NO.：53554-29-3
- Empirical Formula: C8H10N2O3S
- Molecular Weight: 214.24
- MDL number: MFCD03002357
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-06-22 20:19:50
What is 1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER?
The Uses of 1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
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.
Properties of 1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
| Melting point: | 136-144°C |
| Density | 1.37±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 6.48±0.50(Predicted) |
| CAS DataBase Reference | 53554-29-3(CAS DataBase Reference) |
Safety information for 1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. 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 1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
New Products
9-Mesityl-10-methylacridinium perchlorate Sulfapyridine Fmoc-OSu (R)-(-)-2-Amino-1-propanol Cyclobutanone 5-bromo-4-fluoro-2-nitrobenzaldehyde 4 pentyn 1 ol N-Vinylformamide Phenethyl cinnamate Pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, 4,6,7,8-tetrahydro-4-oxo-, sodium salt (1:1), (6S) Ethyl 3-phenylpropanoate β-Bromostyrene Methacrylate-PEG-Methacrylate, Mn:35000 2,4-Dihydroxyacetophenone 2-Chloro 5-Fluoro Pyridine Vasicinone 2-Chloroisonicotinic Acid Tween 80 or Polysorbate 80 Methyl trans-4-Aminocyclohexanecarboxylate Hydrochloride N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine Pirtobrutinib intd. 4-Nitrobenzotrifluoride 2-Pentyn-1-oL N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamideRelated products of tetrahydrofuran
![ETHYL 4-(3-[(3,4-DICHLOROBENZOYL)AMINO]PHENOXY)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE](https://img.chemicalbook.in/StructureFile/ChemBookStructure5/GIF/CB9494493.gif)
![ETHYL 4-(3-[(4-METHYLBENZOYL)AMINO]PHENOXY)-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE](https://img.chemicalbook.in/StructureFile/ChemBookStructure5/GIF/CB7248333.gif)
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