ChemicalBook--->CAS DataBase List--->126717-59-7

126717-59-7

126717-59-7 Structure

126717-59-7 Structure
IdentificationMore
[Name]

5-Bromo-2-methoxy-6-picoline
[CAS]

126717-59-7
[Synonyms]

2-METHOXY-5-BROMO-6-PICOLINE
2-METHYL-3-BROMO-6-METHOXY PYRIDINE
3-BROMO-6-METHOXY-2-METHYLPYRIDINE
3-BROMO-6-METHOXY-2-PICOLINE
5-Bromo-2-Methoxy-6-Methylpyridine
[Molecular Formula]

C7H8BrNO
[MDL Number]

MFCD03094943
[Molecular Weight]

202.05
[MOL File]

126717-59-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

86°C/10mmHg(lit.)
[density ]

1.468g/mLat 25℃
[refractive index ]

n20/D 1.548
[Fp ]

106°C
[storage temp. ]

2-8°C
[form ]

Liquid
[pka]

1.76±0.10(Predicted)
[color ]

Colorless
[InChI]

InChI=1S/C7H8BrNO/c1-5-6(8)3-4-7(9-5)10-2/h3-4H,1-2H3
[InChIKey]

VWNXCCTWVAQAPL-UHFFFAOYSA-N
[SMILES]

C1(C)=NC(OC)=CC=C1Br
[CAS DataBase Reference]

126717-59-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

41-22
[Safety Statements ]

26-39
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-6-methoxy-2-picoline(126717-59-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

A mixture of 5-bromo-6-methyl-1H-pyridin- 2-one (5.5 g, 29 mmol), silver carbonate (10.89 g, 39 mmol), iodomethane (13.6 mL, 217 mmol) and chloroform (115 mL) is stirred overnight in the dark at room temperature. Triethylamine (10 mL) is added, and stirring is continued for 1.5 hr. The reaction mixture is filtered through a pad of Hi-Flo, and the filtrate is washed with water (100 mL), dried, filtered and concentrated. The residue is purified by filtration through a pad of silica gel washing with cyclohexane-20percent ethyl acetate. The solvent is concentrated to afford 3-Bromo-6-methoxy-2-picoline (3.7 g, 63percent yield) as an oil.
[References]

[1] Patent: WO2005/51954, 2005, A2. Location in patent: Page/Page column 39; 40
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