53554-29-3
Ethyl 2-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidine-5-carboxylate
CAS: 53554-29-3
Molecular Formula: C8H10N2O3S
53554-29-3 - Names and Identifiers
53554-29-3 - Physico-chemical Properties
| Molecular Formula | C8H10N2O3S |
| Molar Mass | 214.24 |
| Density | 1.37±0.1 g/cm3(Predicted) |
| Melting Point | 136-144°C |
| Boling Point | 340.4°C at 760 mmHg |
| Flash Point | 159.7°C |
| Vapor Presure | 4.37E-05mmHg at 25°C |
| Appearance | Solid |
| pKa | 6.48±0.50(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.601 |
| MDL | MFCD00023234 |
53554-29-3 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Hazard Class | IRRITANT |
53554-29-3 - Reference Information
| Introduction | 1,4-dihydro-2-methylmercapto-4-oxo-5-pyrimidinoformate is an organic intermediate, which can be obtained from methyl thiourea sulfate and diethyl ethoxymethylene malonate as raw materials. 1, 4-dihydro-2-methylmercapto-4-oxo-5-pyrimidinoate ethyl ester is a key intermediate in the preparation of Avanafil. |
| preparation | methyl thiourea sulfate (75.2g,0.4mol) was added to a solution with a mass fraction of 16% NaOH(250mL,1.18mol) and stirred for 30min, then diethyl ethoxymethylene malonate (103.4g,0.48mol) was dissolved in 160mL of ethanol and slowly dropped into the reaction solution, after dropping, react at room temperature for 10h. When a large amount of white solid is precipitated, white solid (84.7g,99.7%) is obtained by suction filtration, water washing and vacuum drying. ESE-MS(m/z):249[M H], 236.9[M Na], compared with the literature, it can be known as 1, ethyl 4-dihydro-2-methylmercapto-4-oxo-5-pyrimidinoformate. |
| application | 1, 4-dihydro-2-methylmercapto-4-oxo-5-pyrimidine ethyl acetate can be used as several synthetic intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and pharmaceutical and chemical production processes. |
Last Update：2024-04-09 02:00:09
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