ChemicalBook--->CAS DataBase List--->69816-38-2

69816-38-2

69816-38-2 Structure

69816-38-2 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P280-P305+P351+P338-P310
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-5-(TRIFLUOROMETHYL)PYRAZINE(69816-38-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Chloro-5-(trifluoroMethyl)pyrazine

799557-87-2

2-AMINO-5-(TRIFLUOROMETHYL)PYRAZINE

69816-38-2

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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