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164513-39-7

164513-39-7 Structure

164513-39-7 Structure
IdentificationMore
[Name]

5-BROMO-2-METHOXY-4-METHYLPYRIDINE
[CAS]

164513-39-7
[Synonyms]

2-METHOXY-5-BROMO-4-PICOLINE
5-BROMO-2-METHOXY-4-METHYLPYRIDINE
5-BROMO-2-METHOXY-4-PICOLINE
5-BROMO-2-METHOXY-4-METHYLPYRIDINE, 96+%
2-METHOXY-5-BROMO-4-METHYLPYRIDINE
[Molecular Formula]

C7H8BrNO
[MDL Number]

MFCD04039980
[Molecular Weight]

202.05
[MOL File]

164513-39-7.mol
Chemical PropertiesBack Directory
[Melting point ]

33-37 °C(lit.)
[Boiling point ]

229.6±35.0 °C(Predicted)
[density ]

1.45g/ml
[Fp ]

225 °F
[storage temp. ]

0-10°C
[form ]

powder to crystal
[pka]

1.70±0.18(Predicted)
[color ]

White to Almost white
[InChI]

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

HTBPXLJKMNBQMS-UHFFFAOYSA-N
[SMILES]

COc1cc(C)c(Br)cn1
[CAS DataBase Reference]

164513-39-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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:Wear suitable protective clothing .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-2-methoxy-4-methylpyridine(164513-39-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

164513-39-7(sigmaaldrich)
Hazard InformationBack Directory
[Synthesis]

Sodium acetate (3.54g. 43.23mmol) was added to a solution of 2-methoxy-4-methylpyridine (5.0g.3gmmol) in EtOAc (25mL). Br2 (1 .52mL, 58mmol) was added drop-wise to over 20 mm at 0°C. The RM was stirred at 50°C for 18 h. The total reaction mass was cooled, and after diluting it with water, the pH was adjusted to 8 with aq. NaOH. The organic layer was separated, and aq. Layer extracted with EtOAc (250mL x 3). The combined extract was washed with water (300 mL), brine (200 mL), dried (Na2SO4) and concentrated under reduced pressure to get a crude compound. The crude compound was purified by CC(silica gel 100-200mesh, 0-5 per cent EtOAc in PE) to obtain 5-bromo-2-methoxy-4-methylpyridine (2.82g. 40 per cent) as liquid.
[References]

[1] Patent: US2016/176882, 2016, A1. Location in patent: Paragraph 0355; 0356
[2] Patent: WO2017/221100, 2017, A1. Location in patent: Paragraph 00166
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