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1174321-06-2

1174321-06-2 Structure

1174321-06-2 Structure
IdentificationBack Directory
[Name]

5-(trifluoroMethyl)pyrazine-2-carboxylic acid
[CAS]

1174321-06-2
[Synonyms]

180624
5-Difluoromethylpyrazine-2-carboxylic acid
5-(trifluoroMethyl)pyrazine-2-carboxylic acid
2-Pyrazinecarboxylic acid, 5-(difluoromethyl)-
[Molecular Formula]

C6H4F2N2O2
[MDL Number]

MFCD20640530
[MOL File]

1174321-06-2.mol
[Molecular Weight]

174.1
Chemical PropertiesBack Directory
[Boiling point ]

319.8±42.0 °C(Predicted)
[density ]

1.496±0.06 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

2.59±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H318
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

5-(trifluoroMethyl)pyrazine-2-carboxylic acid(1174321-06-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

tert-butyl 5-(difluoromethyl)pyrazine-2-carboxylate

1174321-09-5

5-(trifluoroMethyl)pyrazine-2-carboxylic acid

1174321-06-2

A3-5 (1.5 g, 6.5 mmol) was dissolved in dichloromethane (DCM, 20 mL) at 0 °C and trifluoroacetic acid (TFA, 2 mL) was added slowly and dropwise. The reaction mixture was stirred at room temperature for 4 hours. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure to afford the product A3-6 (1 g, 88% yield). The structure of the product was confirmed by 1H NMR (400 MHz, MeOD): δ 9.30 (s, 1H), 8.98 (s, 1H), 6.92 (t, J = 14.4 Hz, 1H).

[References]

[1] Patent: WO2012/138734, 2012, A1. Location in patent: Page/Page column 65-66
[2] Patent: US2009/209755, 2009, A1. Location in patent: Page/Page column 54-55
[3] Patent: US2010/93999, 2010, A1. Location in patent: Page/Page column 49
[4] Patent: WO2011/9897, 2011, A1. Location in patent: Page/Page column 74; 76
[5] Patent: WO2011/9898, 2011, A1. Location in patent: Page/Page column 86; 87
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