| Identification | Back Directory | [Name]
2-Chloro-5-(difluoromethoxy)pyrimidine | [CAS]
1192813-64-1 | [Synonyms]
2-Chloro-5-(difluoromethoxy)pyrimidine
Pyrimidine, 2-chloro-5-(difluoromethoxy)- | [EINECS(EC#)]
823-560-5 | [Molecular Formula]
C5H3ClF2N2O | [MDL Number]
MFCD18415615 | [MOL File]
1192813-64-1.mol | [Molecular Weight]
180.54 |
| Chemical Properties | Back Directory | [Boiling point ]
260.1±30.0 °C(Predicted) | [density ]
1.466±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
liquid | [pka]
-2.63±0.22(Predicted) | [color ]
Clear, colourless |
| Hazard Information | Back Directory | [Synthesis]
Step A: Synthesis of 2-chloro-5-(difluoromethoxy)pyrimidine
2-Chloropyrimidin-5-ol (1 g, 7.66 mmol) and sodium 2-chloro-2,2-difluoroacetate (3.50 g, 22.98 mmol) were dissolved in N,N-dimethylformamide (20 mL), water (0.2 mL) was added, and the reaction mixture was heated to 90 °C for 24 hours. After completion of the reaction, the solvent was removed by vacuum concentration. The crude product was purified by column chromatography (eluent: 5-30% ethyl acetate/hexane) to afford 2-chloro-5-(difluoromethoxy)pyrimidine (549 mg, 3.04 mmol, 39.7% yield) as a light yellow oil. Mass spectrometry (LC/MS) analysis showed retention time (R.T.) = 1.32 min; [M+H]+ = 181.14. | [References]
[1] Patent: US2009/270405, 2009, A1. Location in patent: Page/Page column 90
[2] Patent: WO2011/53292, 2011, A1. Location in patent: Page/Page column 149-150 |
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