Trifluorothymine
Synonym(s):5-Trifluoromethyluracil
- CAS NO.：54-20-6
- Empirical Formula: C5H3F3N2O2
- Molecular Weight: 180.08
- MDL number: MFCD00006024
- EINECS: 200-197-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-09 22:15:29
What is Trifluorothymine?
Chemical properties
White to faintly yellow crystalline powder
The Uses of Trifluorothymine
Trifluorothymine is an antitumor and antiviral agent. Trifluorothymine was found in patientsтАЩ urine as a metabolite of Trifluorothymidine as cancer treatment.
What are the applications of Application
Trifluorothymine (5-(Trifluoromethyl)uracil) is an application medicine intermediate widely. It may be used for the synthesis of the cancer therapy drug trifluridine and also can be used for the preparation of the 2, 4-dichloro-5-trifluoromethyluracil.
Synthesis
Uracil and sodium triflate can be used as raw materials to synthesize Trifluorothymine. This reaction uses a mixed solvent of methylene chloride and water as the reaction solvent and tert-butyl hydroperoxide as the catalyst.
Properties of Trifluorothymine
| Melting point: | 245-246 °C(lit.) |
| Density | 1.5484 (estimate) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | methanol: soluble50mg/mL, clear |
| form | powder to crystal |
| pka | 6.63±0.10(Predicted) |
| color | White to Orange to Green |
| Water Solubility | INSOLUBLE |
| BRN | 612694 |
| CAS DataBase Reference | 54-20-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,4(1H,3h)-pyrimidinedione, 5-(trifluoromethyl)-(54-20-6) |
Safety information for Trifluorothymine
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Trifluorothymine
| InChIKey | LMNPKIOZMGYQIU-UHFFFAOYSA-N |
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