| Identification | Back Directory | [Name]
2-AMINO-5-BROMO-4-TRIFLUOROMETHYLPYRIDINE | [CAS]
944401-56-3 | [Synonyms]
2-Amino-5-bromo-4-(trifL
2-AMINO-5-BROMO-4-TRIFLUOROMETHYLPYRIDINE
5-bromo-4-(trifluoromethyl)-2-pyridylamine
5-Bromo-4-(trifluoromethyl)-2-pyridinamine
5-BroMo-4-trifluoroMethyl-pyridin-2-ylaMine
2-Pyridinamine, 5-bromo-4-(trifluoromethyl)-
2-Amino-5-bromo-4-(trifluoromethyl)pyridine,95% | [EINECS(EC#)]
693-695-0 | [Molecular Formula]
C6H4BrF3N2 | [MDL Number]
MFCD09864896 | [MOL File]
944401-56-3.mol | [Molecular Weight]
241.009 |
| Chemical Properties | Back Directory | [Melting point ]
71-74℃ | [Boiling point ]
243.9±40.0 °C(Predicted) | [density ]
1.790±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
soluble in Methanol | [form ]
Solid | [pka]
2.44±0.24(Predicted) | [color ]
Pale yellow to orange | [InChI]
InChI=1S/C6H4BrF3N2/c7-4-2-12-5(11)1-3(4)6(8,9)10/h1-2H,(H2,11,12) | [InChIKey]
AEWYLVDLWQPJGW-UHFFFAOYSA-N | [SMILES]
C1(N)=NC=C(Br)C(C(F)(F)F)=C1 | [CAS DataBase Reference]
944401-56-3 |
| Hazard Information | Back Directory | [Synthesis]
Step 1: Synthesis of 5-bromo-4-(trifluoromethyl)pyridin-2-amine
To a stirred solution of 4-(trifluoromethyl)pyridin-2-amine (2.5 g, 15.42 mmol) in dichloromethane (250 mL) was added N-bromosuccinimide (2.74 g, 15.42 mmol) in batches. The reaction was carried out at room temperature and under light protection with continuous stirring for 6 hours. After completion of the reaction, the reaction mixture was diluted with 1N NaOH solution (20 mL) and extracted with dichloromethane (2 x 100 mL). The organic layers were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give the title compound (3.2 g, 86% yield).
1H NMR (400 MHz, CDCl3): δ 8.28 (s, 1H), 6.77 (s, 1H), 4.73 (brs, 2H).
ESI-MS: Calculated: 239.95; Measured: 239.10 [M-H]? | [References]
[1] Patent: WO2017/219800, 2017, A1. Location in patent: Paragraph 00209; 00210
[2] Patent: CN105461714, 2016, A. Location in patent: Paragraph 0367; 0368; 0369
[3] Patent: CN103483345, 2016, B. Location in patent: Paragraph 0131-0134
[4] Patent: CN103694218, 2016, B. Location in patent: Paragraph 0093-0096
[5] Patent: WO2014/169167, 2014, A1. Location in patent: Page/Page column 56 |
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