| Identification | More | [Name]
2-Trifluoromethyl-5-bromopyridine | [CAS]
436799-32-5 | [Synonyms]
2-TRIFLUOROMETHYL-5-BROMOPYRIDINE
3-BROMO-5-(TRIFLUOROMETHYL)PYRIDINE
5-BROMO-2-(TRIFLUOROMETHYL)PYRIDINE
3-Bromo-6-(trifluoromethyl) pyridine
5-Bromo-2-(trifluoromethyl)pyridine 97%
5-Bromo-2-(trifluoromethyl)pyridine97%
TRIFLUOROMETHYL-5-BROMOPYRIDINE
TRIFLUOROMETHYL-5-BROMO-2-PYRIDINE | [Molecular Formula]
C6H3BrF3N | [MDL Number]
MFCD04972700 | [Molecular Weight]
225.99 | [MOL File]
436799-32-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystal powder | [Melting point ]
44-46 °C
| [Boiling point ]
68-70°C 10mm | [density ]
1.707±0.06 g/cm3(Predicted) | [Fp ]
174 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
-1.80±0.22(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H | [InChIKey]
RPFAUCIXZGMCFN-UHFFFAOYSA-N | [SMILES]
C1(C(F)(F)F)=NC=C(Br)C=C1 | [CAS DataBase Reference]
436799-32-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T,Xi | [Risk Statements ]
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37:Wear suitable gloves . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
white crystal powder | [Uses]
Regioselective C-4 deprotonation with LDA and trapping with carbon dioxide leads to the corresponding C-4 acid. | [Synthesis]
Step 1: Synthesis of 5-bromo-2-(trifluoromethyl)pyridine
To a stirred solution of 2,5-dibromopyridine (0.1 g, 0.421 mmol) in DMF (5.0 mL) was sequentially added methyl fluorosulfonyl difluoroacetate (0.405 g, 2.109 mmol) and cuprous iodide (0.401 g, 2.109 mmol). The reaction mixture was stirred at 100 °C for 12 h and the progress of the reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, the mixture was cooled to room temperature, diluted with water and extracted with ethyl acetate (EtOAc). The organic phases were combined, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to afford the crude product 5-bromo-2-(trifluoromethyl)pyridine (0.07 g, 73% yield) as a light yellow oil, which could be used in subsequent steps without further purification. Mass spectrum (MS): 227.28 [M++1]. | [References]
[1] Patent: US2017/291910, 2017, A1. Location in patent: Paragraph 0577-0579
[2] Patent: US2017/291894, 2017, A1. Location in patent: Paragraph 0445-0447 |
|
|