| Identification | Back Directory | [Name]
2-Trifluoromethylpyrimidine | [CAS]
116470-67-8 | [Synonyms]
2-Trifluoromethyl pyrimidine Pyrimidine, 2-(trifluoromethyl)- Pyrimidine, 2-(trifluoromethyl)- (9CI) 2-Trifluoromethylpyrimidine ISO 9001:2015 REACH | [EINECS(EC#)]
946-092-4 | [Molecular Formula]
C5H3F3N2 | [MDL Number]
MFCD10698646 | [MOL File]
116470-67-8.mol | [Molecular Weight]
148.09 |
| Chemical Properties | Back Directory | [Boiling point ]
69.0±40.0 °C(Predicted) | [density ]
1.353±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
-1.90±0.13(Predicted) |
| Hazard Information | Back Directory | [Synthesis]
GENERAL STEPS: AgF (1.27 g, 10 mmol) was dissolved in 10 mL of DMF at room temperature and stirred until fully dissolved, then Me3SiCF3 (1.7 g, 12 mmol) was added. The reaction mixture was stirred continuously for 20 min, followed by the addition of copper powder (1.0 g, 15 mmol). The reaction was continued to be stirred for 4 hours until CuCF3 was completely formed. Next, 2-bromopyrimidine (9 mmol) was added to the reaction system and the reaction mixture was stirred under the conditions listed in Table 1. The progress of the reaction was monitored by 19F NMR spectroscopy until the signal of CuCF3 completely disappeared. Upon completion of the reaction, the mixture was filtered to remove the solid precipitate and the filtrate was poured into 50 mL of water. The organic layer in the aqueous phase was extracted with ether, the organic layers were combined and dried with MgSO4. The ether was removed by evaporation under reduced pressure and the residue was purified by distillation under reduced pressure or crystallization to give the target product 2-trifluoromethylpyrimidine. | [References]
[1] Journal of Fluorine Chemistry, 2012, vol. 133, p. 67 - 71 |
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