Molecular Formula | C5H3F3N2OS |
Molar Mass | 196.15 |
Density | 1.63±0.1 g/cm3(Predicted) |
Melting Point | 246-250 °C (lit.) |
Solubility | soluble in Methanol |
Appearance | Powder |
Color | White to Almost white |
Maximum wavelength(λmax) | ['270nm(MeOH)(lit.)'] |
pKa | 6.21±0.20(Predicted) |
Storage Condition | Inert atmosphere,Room Temperature |
MDL | MFCD00112978 |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
WGK Germany | 3 |
HS Code | 29335990 |
Hazard Class | IRRITANT |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
Introduction | 4-hydroxy-6-(trifluoromethyl) pyrimidin-2-mercaptan is a 4-hydroxy substituted pyrimidine compound, which occupies an important position in pharmaceutical and pesticide intermediates. |
Uses | 4-hydroxy-6-(trifluoromethyl) pyrimidine-2-thiol is a pyrimidine derivative, which can be used to prepare anti-cancer, Antibacterial, anti-malarial, arthritis and other drugs; it can also be used for the synthesis of herbicides, pesticides, and fungicides. For example, drug molecules such as the antimalarial drug pyrimethamine, the antihypertensive drug minoxidil, the anti-cancer drug 5-fluorouracil, and the fungicides ethimurol and methylpyrimidine in pesticides all contain pyrimidine structures. |
prepare | 250mL three-neck bottle, equipped with mechanical stirring and reflux condenser tube, add 27.6g(0.15mol) of ethyl trifluoroacetoacetate, 11.4g(0.15mol) of thiourea, 100mLDMF, heat to 120 ℃, and react for 4 hours. Cooling, recovery of solvent under reduced pressure, cooling and crystallization, filtration and washing with water to obtain 25.3g of 4-hydroxy-6-(trifluoromethyl) pyrimidin-2-mercaptan (yield: 86.0%). |