| Identification | Back Directory | [Name]
4-Chloro-6-methyl-2-(methylthio)pyrimidine | [CAS]
17119-73-2 | [Synonyms]
NSC 48354
4-Chloro-6-methyl-2-(methylthio)
4,6-dichloro-2-MethylpyriMidine-1-thiol
4-Chloro-6-methyl-2-(methylthio)pyrimidine
4-CHLORO-6-METHYL-2-METHYLSULFANYL-PYRIMIDINE
Pyrimidine, 4-chloro-6-methyl-2-(methylthio)-
4-Chloro-6-methyl-2-(methylthio)pyrimidine >
4-chloro-6-methyl-2-(methylthio)pyrimidine(SALTDATA: FREE) | [Molecular Formula]
C6H7ClN2S | [MDL Number]
MFCD00023233
| [MOL File]
17119-73-2.mol | [Molecular Weight]
174.65 |
| Chemical Properties | Back Directory | [Melting point ]
37-38℃ | [Boiling point ]
147°C/32mmHg(lit.) | [density ]
1.30±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,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 |
| Hazard Information | Back Directory | [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 |
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