2-(Methylthio)pyrimidine-4(1H)-one
2-Methylthio-4-pyrimidone
CAS: 5751-20-2
Molecular Formula: C5H6N2OS
2-(Methylthio)pyrimidine-4(1H)-one - Names and Identifiers
2-(Methylthio)pyrimidine-4(1H)-one - Physico-chemical Properties
| Molecular Formula | C5H6N2OS |
| Molar Mass | 142.18 |
| Density | 1.35±0.1 g/cm3(Predicted) |
| Melting Point | 200.0 to 204.0 °C |
| Boling Point | 301.2°C at 760 mmHg |
| Flash Point | 136°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.000597mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| pKa | 7.80±0.40(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.638 |
| MDL | MFCD00047373 |
2-(Methylthio)pyrimidine-4(1H)-one - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. |
| HS Code | 29335990 |
2-(Methylthio)pyrimidine-4(1H)-one - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Application | 2-methylthio-4-pyrimidinone is an organic intermediate, it can be prepared by the reaction of isopropyl formyl acetate with thiomethyl isothiourea to close the ring. It has been reported in the literature that it can be used for the preparation of parboxillin intermediates. |
| preparation | 800g of 2-thiopyrimidine was sequentially taken, and water 6L was added to a 10L reaction flask, followed by stirring. The temperature was lowered in an ice bath, and 560g of sodium hydroxide was added to the reaction flask in portions to maintain the temperature below 40 °c. After the addition, the ice bath was cooled to below 20 °c, and 944g of dimethyl sulfate was slowly added dropwise. During the dropwise addition, the temperature was controlled between 15-25 °c. HPLC detection: the raw materials were basically reacted. The reaction solution was adjusted to pH 1-2 with 6mol/L dilute hydrochloric acid, and white solid precipitated. It was lowered to about 20 ℃, stirred for 0.5h, and suction filtered. The filter cake was washed with a large amount of water to remove salt, dried, and air dried at 50 ℃. 805g of white solid powder was obtained, the liquid phase was more than 98%, and the yield was 90.7%. |
Last Update：2024-04-10 22:29:15
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Multiple Specifications
Product Name: 2-Methylthio Uracil Visit Supplier Webpage Request for quotationCAS: 5751-20-2
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
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