ChemicalBook--->CAS DataBase List--->926293-55-2

926293-55-2

926293-55-2 Structure

926293-55-2 Structure
IdentificationBack Directory
[Name]

6-Bromo-2-methylpyridine-3-carboxaldehyde
[CAS]

926293-55-2
[Synonyms]

CML-017
6-BroMo-2-Methylnicotinaldehyde
6-BroMo-2-Methyl-pyridine-3-carbaldehyde
6-Bromo-2-methylpyridine-3-carboxaldehyde
6-bromo-2-methyl-3-Pyridinecarboxaldehyde
3-Pyridinecarboxaldehyde, 6-bromo-2-methyl-
[Molecular Formula]

C7H6BrNO
[MDL Number]

MFCD13188654
[MOL File]

926293-55-2.mol
[Molecular Weight]

200.03
Chemical PropertiesBack Directory
[Boiling point ]

285℃
[density ]

1.577
[Fp ]

126℃
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

-0.29±0.10(Predicted)
[Appearance]

Light yellow to brown Solid
[InChI]

InChI=1S/C7H6BrNO/c1-5-6(4-10)2-3-7(8)9-5/h2-4H,1H3
[InChIKey]

CUTAVXXGKKXAHQ-UHFFFAOYSA-N
[SMILES]

C1(C)=NC(Br)=CC=C1C=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

6-Bromo-2-methylpyridine-3-carboxaldehyde(926293-55-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

2,5-DIBROMO-6-METHYLPYRIDINE

39919-65-8

N,N-Dimethylformamide

68-12-2

6-Bromo-2-methylpyridine-3-carboxaldehyde

926293-55-2

General procedure for the synthesis of 6-bromo-2-methylnicotinic aldehyde from 2,5-dibromo-6-methylpyridine and N,N-dimethylformamide: To a solution of 3,6-dibromo-2-methylpyridine (60 g, 239 mmol) in tetrahydrofuran (THF, 600 mL) under nitrogen protection was slowly added at -78°C n-butyllithium (n-BuLi, 100 mL. 251 mmol). The reaction mixture was stirred continuously at -78 °C for 1 hour. Subsequently, N,N-dimethylformamide (DMF, 20.4 mL, 263 mmol) was added dropwise and stirring was continued at -78 °C for 1 hour. The reaction mixture was slowly warmed to 25 °C and the reaction was quenched by the addition of 1 M aqueous hydrochloric acid (300 mL). This reaction mixture was combined and processed with five other parallel reactions (30 g, 120 mmol and 4 x 50 g, 199 mmol of 3,6-dibromo-2-methylpyridine, respectively, maintaining the same reagent and solvent ratios). The combined reaction mixtures were extracted with ethyl acetate (EtOAc, 800 mL × 4), and the combined organic layers were washed with deionized water (H2O, 300 mL × 3), dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to afford the target product, 6-bromo-2-methylnicotinic aldehyde (260 g, 492 mmol, 42.5% combined yield), as a red oil The product was analyzed by NMR hydrogen spectroscopy. The product was confirmed by nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 400 MHz, chloroform-d): δ10.28 (s, 1H), 7.92 (d, J=7.9 Hz, 1H), 7.64 (s, 1H), 2.88-2.83 (m, 3H). Liquid chromatography-mass spectrometry (LCMS) analysis showed [M+H]+ peaks at m/z = 200.1 and 202.1.

[References]

[1] Patent: WO2007/22371, 2007, A2. Location in patent: Page/Page column 51
[2] Patent: CN106608879, 2017, A. Location in patent: Paragraph 0310-0313
[3] Patent: WO2017/145050, 2017, A1. Location in patent: Page/Page column 25-26
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