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| | 4-Chloro-2-methylthiopyrimidine Basic information |
| | 4-Chloro-2-methylthiopyrimidine Chemical Properties |
| Melting point | −2 °C(lit.) | | Boiling point | 139-140 °C36 mm Hg(lit.) | | density | 1.381 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.6(lit.) | | Fp | >230 °F | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | pka | -0.56±0.20(Predicted) | | form | liquid | | color | Colorless to Red to Green | | Water Solubility | Not miscible or difficult to mix in water. | | Sensitive | Hygroscopic | | BRN | 118042 | | InChI | InChI=1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3 | | InChIKey | DFOHHQRGDOQMKG-UHFFFAOYSA-N | | SMILES | C1(SC)=NC=CC(Cl)=N1 | | CAS DataBase Reference | 49844-90-8(CAS DataBase Reference) |
| Hazard Codes | C | | Risk Statements | 34 | | Safety Statements | 26-36/37/39-45 | | RIDADR | UN 1760 8/PG 2 | | WGK Germany | 3 | | F | 10-13-23 | | Hazard Note | Corrosive/Hygroscopic | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29335990 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Skin Corr. 1B |
| | 4-Chloro-2-methylthiopyrimidine Usage And Synthesis |
| Chemical Properties | Clear yellow to brown liquid | | Uses | It finds it application as a building block used in medicinal chemistry synthesis. 4-Chloro-2-methylthiopyrimidine is used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It is also used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors. | | Uses | 4-Chloro-2-methylthiopyrimidine was used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It was used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors. It was used as building block in medicinal chemistry synthesis. | | Synthesis | 4-Chloro-2-methylthiopyrimidine can be produced from 2-thiouracil as raw material, dimethyl sulfate as methylation reagent, and thionyl chloride and phosphorus oxychloride as chlorination reagents by methylation and chlorination reaction. |
| | 4-Chloro-2-methylthiopyrimidine Preparation Products And Raw materials |
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