5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester
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5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester
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CAS No:
213771-32-5
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Formula:
C8H8BrNO2
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Chemical Name:
5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester
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Synonyms:
5-Bromo-3-methylpicolinic acid methyl ester;5-BroMo-3-Methylpyridine-2-Carboxylic Acid Methyl;Methyl 5-bromo-3-methylpicolinate, 5-Bromo-2-(methoxycarbonyl)-3-methylpyridine;2-Pyridinecarboxylic acid, 5-bromo-3-methyl-, methyl ester;Methyl 5-Bromo-3-methylpicolinate;Methyl 5-bromo-3-methyl-pyridine-2-carboxylate
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CAS No:
5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester Basic Attributes
230.05862
228.973831
DTXSID80672022
2933399090
Characteristics
39.2
2.1
1.503
302.2°C at 760 mmHg
136.6±26.5 °C
1.548
Room temperature.
0.001mmHg at 25°C
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester Use and Manufacturing
Step C Example 11.1: methyl S-bromo-S-metliylpyridine-Z-carboxylateO; To a solution of 5-bromo-3-methylpyridine-2-carboxylic acid (450 mg, 2.08 mmol) in dimethylformamide (2 mL) was added potassium carbonate (862 mg, 6.24 mmol) and iodomethane (739 mg, 5.21 mmol) and the reaction was stirred at 80 To a mixture of 5-bromo-3-methylpicolinic acid (600 mg, 2.8 mmol) in MeOH (10 mL) was added 50C12 (397 mg, 3.3 mmol). The mixture was stirred at reflux temperature for 6 hours. LCMS showed the reaction was complete. The reaction mixture was evaporated in vacuo to afford methyl 5-bromo-3-methylpicolinate (640 mg, 99percent yield), m/z = 229.76(M+H), as an off-white solid.
Computed Properties
Molecular Weight:230.06
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:228.97384
Monoisotopic Mass:228.97384
Topological Polar Surface Area:39.2
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Bromo-3-methylpyridine-2-carboxylic acid methyl ester
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