| Identification | Back Directory | [Name]
5-Bromo-3-Methoxy-Pyridine2-Carbonitrile | [CAS]
36057-46-2 | [Synonyms]
5-Bromo-3-methoxypicolinonitrile
5-Bromo-3-Methoxy-Pyridine2-Carbonitrile
2-Pyridinecarbonitrile, 5-bromo-3-methoxy- | [Molecular Formula]
C7H5BrN2O | [MDL Number]
MFCD11857636 | [MOL File]
36057-46-2.mol | [Molecular Weight]
213.03 |
| Chemical Properties | Back Directory | [Boiling point ]
310.9±37.0 °C(Predicted) | [density ]
1.65±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
solid | [pka]
-7.15±0.10(Predicted) | [Appearance]
White to yellow Solid | [InChI]
InChI=1S/C7H5BrN2O/c1-11-7-2-5(8)4-10-6(7)3-9/h2,4H,1H3 | [InChIKey]
WIRVBLLSXJUOHZ-UHFFFAOYSA-N | [SMILES]
C1(C#N)=NC=C(Br)C=C1OC |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301 | [Precautionary statements ]
P301+P310 | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [HazardClass ]
IRRITANT |
| Hazard Information | Back Directory | [Synthesis]
Sodium methanolate (2.68 g, 49.59 mmol) was added to a solution of 5-bromo-3-fluoropyridine-2-carbonitrile (2.00 g, 9.93 mmol) in tetrahydrofuran (THF, 80 mL) at room temperature. The reaction mixture was stirred at 70 °C for 3 hours. Upon completion of the reaction, the pH of the reaction mixture was adjusted to 7 with a 3 M solution of HCl. The reaction mixture was extracted with ethyl acetate (100 mL x 3). The organic phases were combined, washed with brine and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give 5-bromo-3-methoxypyridine-2-carbonitrile as a brown solid (2.00 g, 95% yield). Mass spectrum (MS): m/z = 213.0 [M + H]+. | [References]
[1] Patent: US2016/376283, 2016, A1. Location in patent: Paragraph 1219; 1220
[2] Patent: EP3275864, 2018, A1. Location in patent: Paragraph 0032; 0038; 0044; 0050; 0056; 0062
[3] Patent: WO2007/87488, 2007, A2. Location in patent: Page/Page column 24 |
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