3-Bromo-4,5-dimethylpyridine
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3-Bromo-4,5-dimethylpyridine
structure -
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CAS No:
27063-98-5
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Formula:
C7H8BrN
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Chemical Name:
3-Bromo-4,5-dimethylpyridine
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Synonyms:
Pyridine,3-bromo-4,5-dimethyl-;3,4-Lutidine,5-bromo-;3-Bromo-4,5-dimethylpyridine;5-Bromo-3,4-dimethylpyridine
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CAS No:
Characteristics
12.9
2.3
1.416g/cm3
33-34 °C
38 °C @ Press: 40 Torr
93.669ºC
1.547
0.095mmHg at 25°C
3-Bromo-4,5-dimethylpyridine Use and Manufacturing
To a mixture of 3, 4-dimethylpyridine (5.0 g, 46.6 mmol) in cone sulfuric acid (50.0 mL) was added N-bromosuccinimide (9.31 g, 51.32 mmol) in portion wise at room temperature under nitrogen. The reaction mixture was stirred at 60°C for 18 hours. The reaction mixture was cooled to room temperature, then poured into ice cold water, and basified with 10percent NaOH solution. The aqueous layer was extracted with ethyl acetate (3 x 50 mL) . The combined organic layers were washed with brine, dried over sodium sulfate and concentrated under vacuo to give a crude product. The crude product was purified by silica gel (100-200 mesh size) column chromatography using 5percent ethyl acetate in hexane as mobile phase to give the title compound (0.8 g, 9.3percent). MS(ESI)m/z: 186.0 [M(
Computed Properties
Molecular Weight:186.05
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Exact Mass:184.98401
Monoisotopic Mass:184.98401
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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