| Identification | Back Directory | [Name]
2-AMINO-5-(TRIFLUOROMETHYL)PYRAZINE | [CAS]
69816-38-2 | [Synonyms]
5-(trifluoromethyl)-2-Pyrazinamine
5-(TRIFLUOROMETHYL)PYRAZIN-2-AMINE
2-AMINO-5-(TRIFLUOROMETHYL)PYRAZINE
5-TrifluoroMethyl-pyrazin-2-ylaMine
5-(Trifluoromethyl)pyrazine-2-amine
2-Pyrazinamine, 5-(trifluoromethyl)- | [Molecular Formula]
C5H4F3N3 | [MDL Number]
MFCD10697797 | [MOL File]
69816-38-2.mol | [Molecular Weight]
163.1 |
| Chemical Properties | Back Directory | [Boiling point ]
226.2±40.0 °C(Predicted) | [density ]
1.460±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [pka]
1.50±0.10(Predicted) | [Appearance]
White to light yellow Solid | [InChI]
InChI=1S/C5H4F3N3/c6-5(7,8)3-1-11-4(9)2-10-3/h1-2H,(H2,9,11) | [InChIKey]
ILDRNIDSVAZBMZ-UHFFFAOYSA-N | [SMILES]
C1(N)=NC=C(C(F)(F)F)N=C1 |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-amino-5-trifluoromethylpyrazine from 2-chloro-5-trifluoromethylpyrazine: 2-chloro-5-(trifluoromethyl)pyrazine (5.0 g, 27 mmol) was mixed with ammonium hydroxide (190 mL, 2.7 mol) and the reaction was stirred for 3.5 h at 80 °C in a sealed pressure vessel. After completion of the reaction, it was cooled to room temperature and the reaction mixture was extracted with dichloromethane (4×). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated to give 2-amino-5-trifluoromethylpyrazine (4.0 g, 90% yield) as a white solid. The product was confirmed by 1H NMR (400 MHz, CDCl3): δ 8.34 (s, 1H), 8.01 (s, 1H), 5.01 (br s, 2H).The LCMS analysis showed that the calculated value of [M+H]+ m/z was 164.0, and the measured value was 164.1, which was in agreement with the target compound. | [References]
[1] Patent: US2018/9816, 2018, A1. Location in patent: Paragraph 1377; 1378 |
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