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1060806-62-3

1060806-62-3 Structure

1060806-62-3 Structure
IdentificationBack Directory
[Name]

6-BROMO-2-METHOXYNICOTINIC ACID
[CAS]

1060806-62-3
[Synonyms]

6-BROMO-2-METHOXYNICOTINIC ACID
3-Pyridinecarboxylic acid, 6-bromo-2-methoxy-
[Molecular Formula]

C7H6BrNO3
[MDL Number]

MFCD13188730
[MOL File]

1060806-62-3.mol
[Molecular Weight]

232.03
Chemical PropertiesBack Directory
[Boiling point ]

327.0±42.0 °C(Predicted)
[density ]

1.713±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

3.13±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P304+P340-P305+P351+P338
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

6-BROMO-2-METHOXYNICOTINIC ACID(1060806-62-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Bromo-6-methoxypyridine

40473-07-2

Carbon dioxide

124-38-9

6-BROMO-2-METHOXYNICOTINIC ACID

1060806-62-3

General procedure for the synthesis of 6-bromo-2-methoxycarboxylic acid pyridine from 2-bromo-6-methoxypyridine and carbon dioxide: Preparation of 2-methoxy-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-nicotinamide: Step 1: Synthesis of 6-bromo-2-methoxynicotinic acid: A tetrahydrofuran (5 mL) solution of 2,2,6,6-tetramethylpiperidine (0.766 g, 5.32 mmol) was cooled under nitrogen protection to -78°C. A hexane solution of 2.5 M n-butyllithium (2.34 mL, 0.375 g, 5.85 mmol) was slowly added and stirred at -78°C for 30 min. Subsequently, a tetrahydrofuran (5 mL) solution of 2-bromo-6-methoxypyridine (1.00 g, 5.32 mmol) was added dropwise. The reaction mixture was continued to be stirred at -78°C for 1 hour. After that, an excess of dry ice was added to slowly warm the reaction mixture to room temperature for 3 hours. Upon completion of the reaction, water and ethyl acetate were added for layering. The aqueous layer was acidified to pH 4 with hydrochloric acid and then extracted three times with ethyl acetate. The organic layers were combined, washed with brine, dried over anhydrous magnesium sulfate, filtered and concentrated to give an off-white solid product (0.530 g, 42.9% yield). 1H NMR (500 MHz, DMSO-d6) δ ppm: 2.52 (2H, br.s.), 3.32 (1H, br.s.), 3.90 (1H, d, J = 2.9 Hz), 3.92 (1H, m), 8.03 (1H, d, J = 7.8 Hz).

[References]

[1] Patent: WO2010/116282, 2010, A1. Location in patent: Page/Page column 60
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