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| | 4-Chloro-6-methyl-2-(methylthio)pyrimidine Basic information |
| Product Name: | 4-Chloro-6-methyl-2-(methylthio)pyrimidine | | Synonyms: | 4-CHLORO-6-METHYL-2-METHYLSULFANYL-PYRIMIDINE;4-Chloro-6-methyl-2-(methylthio)pyrimidine;4-chloro-6-methyl-2-(methylthio)pyrimidine(SALTDATA: FREE);4,6-dichloro-2-MethylpyriMidine-1-thiol;NSC 48354;4-Chloro-6-methyl-2-(methylthio);4-Chloro-6-methyl-2-(methylthio)pyrimidine >;Pyrimidine, 4-chloro-6-methyl-2-(methylthio)- | | CAS: | 17119-73-2 | | MF: | C6H7ClN2S | | MW: | 174.65 | | EINECS: | | | Product Categories: | Heterocycle-Pyrimidine series | | Mol File: | 17119-73-2.mol |  |
| | 4-Chloro-6-methyl-2-(methylthio)pyrimidine Chemical Properties |
| Melting point | 37-38℃ | | Boiling point | 147°C/32mmHg(lit.) | | density | 1.30±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | Chloroform (Sparingly), MEthanol (Slightly) | | form | Solid | | pka | 0.16±0.30(Predicted) | | color | Pale Yellow | | InChI | InChI=1S/C6H7ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3 | | InChIKey | ALMBOXQFPLQVLF-UHFFFAOYSA-N | | SMILES | C1(SC)=NC(C)=CC(Cl)=N1 |
| Risk Statements | 22 | | Safety Statements | 36/37 | | HS Code | 29339900 |
| | 4-Chloro-6-methyl-2-(methylthio)pyrimidine Usage And Synthesis |
| Chemical Properties | White solid | | Uses | 4-Chloro-6-methyl-2-(methylthio)pyrimidine has been used in the synthesis of 4-chloro-2-(3,5-dimethyl-1h-pyrazol-1-yl)-6-methylpyrimidine. | | Synthesis | A. Synthesis of 6-methyl-2-methylthio-4-chloropyrimidine: 6-methyl-4-hydroxy-2-methylthio-pyrimidine (9.20 g, 59 mmol) was mixed with phosphorus trichloride (60 mL) and heated to reflux for 3 hours. After completion of the reaction, the mixture was cooled to room temperature and slowly poured into crushed ice. The aqueous phase mixture was extracted with ethyl acetate and the organic layer was washed sequentially with saturated aqueous sodium bicarbonate and water and dried over anhydrous magnesium sulfate. The solvent was removed by concentration under reduced pressure to give 6-methyl-2-methylthio-4-chloropyrimidine (8.27 g, 80% yield) as a white solid with a melting point of 37-38°C. The solvent was removed by concentration under reduced pressure. | | References | [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 6, p. 1146 - 1157
[2] Patent: US5863924, 1999, A
[3] Patent: US5958934, 1999, A
[4] Patent: US5952331, 1999, A
[5] Patent: EP901474, 2006, B1. Location in patent: Page/Page column 26 |
| | 4-Chloro-6-methyl-2-(methylthio)pyrimidine Preparation Products And Raw materials |
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