Pyrimidine, 2,4-dichloro-5-methyl-
2,4-dichloro-5-methylpyrimidine
CAS: 1780-31-0
Molecular Formula: C5H4Cl2N2
Pyrimidine, 2,4-dichloro-5-methyl- - Names and Identifiers
| Name | 2,4-dichloro-5-methylpyrimidine |
| Synonyms | Toxic,stench 2,4-Dichloro-5- Dichloro-5-MethylpyriMid 2,4-Dichlor-5-methylpyrimidin 2,4-dichloro-5-methylpyrimidine 2,4-DICHLORO-5-METHYLPYRIMIDINE 2,4-dichloro-5-methyl-pyrimidin PYRIMIDINE,2,4-DICHLORO-5-METHYL 2,4-Dichloro-5-methyl-1,3-diazine Pyrimidine, 2,4-dichloro-5-methyl- 2,4-Dichloro-5-methylpyrimidine**Toxic, Stench** |
| CAS | 1780-31-0 |
| EINECS | 217-227-8 |
| InChI | InChI=1/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3 |
| InChIKey | DQXNTSXKIUZJJS-UHFFFAOYSA-N |
Pyrimidine, 2,4-dichloro-5-methyl- - Physico-chemical Properties
| Molecular Formula | C5H4Cl2N2 |
| Molar Mass | 163 |
| Density | 1.39 g/mL at 25 °C (lit.) |
| Melting Point | 26-28 °C (lit.) |
| Boling Point | 108-109 °C/11 mmHg (lit.) |
| Flash Point | >230°F |
| Solubility | Soluble in chloroform, ether, ethyl acetate and toluene |
| Vapor Presure | 0.079mmHg at 25°C |
| Appearance | powder to lump to clear liquid |
| Color | White or Colorless to Almost white or Almost colorless |
| pKa | -2.44±0.29(Predicted) |
| Storage Condition | Inert atmosphere,2-8°C |
| Sensitive | Lachrymatory |
| Refractive Index | 1.6300 (estimate) |
| Physical and Chemical Properties | Appearance colorless liquid boiling point 108-109 ℃(11mmHg) |
| Use | Pharmaceutical Intermediates |
Pyrimidine, 2,4-dichloro-5-methyl- - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | 34 - Causes burns |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29335990 |
| Hazard Class | 8 |
| Packing Group | III |
Pyrimidine, 2,4-dichloro-5-methyl- - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 2, 4-dichloro-5-methylpyrimidine can be used in the preparation of 2-fluoro-5-trifluoromethylpyrimidine. 2-fluoro-5-trifluoromethylpyrimidine is an important intermediate for the synthesis of pharmaceuticals, which can be used to synthesize fused ring dihydrofuran compounds, and fused ring dihydrofuran compounds can be used as G protein coupled receptor GPR119 modulators, for the treatment of diabetes, obesity and dyslipidemia disease. In addition, 2-fluoro-5-trifluoromethylpyrimidine can also be used as an intermediate in the synthesis of drugs for the treatment of Alzheimer's disease and schizophrenia. |
| preparation | 5-methyluracil 75g(0.59mol), phosphorus oxychloride 236g, triethylamine hydrochloride 16.5g(0.12mol), added to the reaction flask, heated to 100 ℃ ~ 110 ℃, Reflux reaction 5H, cooled to 40 ℃, add phosphorus pentachloride 248(1.19mol), heat preservation reaction 2H. After completion of the reaction, phosphorus oxychloride was recovered by distillation under reduced pressure, and distillation under reduced pressure was continued to obtain 88g(0.54mol) of 2, 4-dichloro-5-methylpyrimidine in a yield of 91.5%. |
Last Update：2024-04-10 22:29:15
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