50270-27-4
2,4,6-Trichloro-5-pyrimidinecarboxaldehyde
CAS: 50270-27-4
Molecular Formula: C5HCl3N2O
50270-27-4 - Names and Identifiers
50270-27-4 - Physico-chemical Properties
| Molecular Formula | C5HCl3N2O |
| Molar Mass | 211.43 |
| Density | 1.713±0.06 g/cm3(Predicted) |
| Melting Point | 131-132℃ |
| Boling Point | 278.6±35.0 °C(Predicted) |
| Flash Point | 122.289°C |
| Water Solubility | Slightly soluble in water. |
| Vapor Presure | 0.004mmHg at 25°C |
| Appearance | Solid |
| Color | White to brown |
| pKa | -8.75±0.39(Predicted) |
| Storage Condition | Inert atmosphere,Store in freezer, under -20°C |
| Refractive Index | 1.629 |
| MDL | MFCD02257700 |
50270-27-4 - Risk and Safety
| UN IDs | UN2811 |
| Hazard Class | 6.1 |
50270-27-4 - Reference Information
| Uses | 2,4, 6-dichloro-5-pyrimidine formaldehyde is an important pharmaceutical intermediate, 2,4, 6-dichloro-5-pyrimidine formaldehyde can react with hydrazine hydrate to produce 2-chloropyrazolopyrimidine, 2-chloropyrazolopyrimidine is an important new drug intermediate, 2,4, 6-dichloro-5-pyrimidine formaldehyde can continue to react to form 2-chloropyrazolopyrimidine, its aldehyde group can be oxidized to carboxylic acid, and the 2,4,6-position chlorine can undergo nucleophilic substitution reaction to form pyrimidine derivatives. |
| Preparation | 2,4, 6-dichloro-5-pyrimidine formaldehyde is an important pharmaceutical intermediate. At present, it is reported that the synthesis methods of 2,4, 6-dichloro-5-pyrimidine formaldehyde are mainly divided into the following categories: 1. Using 2,4, 6-dichloro-5-bromo (iodopyrimidine) as the starting material, After reacting with Grignard reagent or butyl lithium, the target molecule is obtained by reacting with DMF, methyl formate or N-formylmorpholine, the reaction temperature in this synthesis method generally requires a low temperature of -78°C, and the yield is relatively low; 2. Using uracil as the starting material, it reacts with formaldehyde under the catalysis of barium hydroxide to generate 5-hydroxymethyluracil, and further The oxidation of the oxidant manganese dioxide obtains uracil-5-formaldehyde, and then the target molecule is obtained in three steps through the trichloromethane reaction. The molar yield of the three-step reaction is 45%, and the weight yield is 33.2%. |
Last Update：2024-04-09 20:52:54
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