| Identification | More | [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 Properties | Back 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 Data | Back 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 |
| Hazard Information | Back 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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