3-Bromo-2-methoxypyridine
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3-Bromo-2-methoxypyridine
structure -
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CAS No:
13472-59-8
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Formula:
C6H6BrNO
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Chemical Name:
3-Bromo-2-methoxypyridine
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Synonyms:
Pyridine,3-bromo-2-methoxy-;3-Bromo-2-methoxypyridine
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CAS No:
Characteristics
22.1
1.8
1.5856
87 °C @ Press: 16 Torr
93 °C
1.566
Not miscible or difficult to mix in water.
Storeunderinertgas
0.752mmHg at 25°C
Safety Information
NONH for all modes of transport
3
22-37/38-41
26-36/37/39
Xn
P261-P280-P305 + P351 + P338
H302-H315-H318-H335
|Danger|H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-2-methoxypyridine Use and Manufacturing
A) To a solution of 2-[[5-methyl-3-(6-methyl-3-pyridyl)isoxazol-4-yl]methyl]-5-piperazin-l-yl- pyridazin-3-one (70 mg, 0.19 mmol) in toluene (1 mL) was added To a solution of To a solution of 3-bromo-2- methoxypyridine (950 mg, 5.05 mmol) in toluene (10 mL) was added 1-methylpiperazine (685 mg, 6.85 mmol), Pd2(dba)3CHCl3 (265 mg, 0.26 mmol, ), Davephos (303 mg, 0.77 mmol), t-BuONa (739 mg, 7.69 mmol) at room temperature. The resulting solution was stirred for 1.5 h at 60 C. After cooling to room temperature, the reaction was then quenched by the addition of water (20 mL). The resulting solution was extracted with ethyl acetate (50 mL x 3). The organic phases were combined, washed with brine and dried over Na2S04. The solution was concentrated under reduced pressure and the residue was purified by flash chromatography eluting with MeOH in EtOAc (0% to 90% gradient) to yield l-(2-methoxypyridin-3-yl)-4-methylpiperazine as brown oil (625 mg, 60%). MS: m/z = 208.3 [M+H]+.
Computed Properties
Molecular Weight:188.02
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.96328
Monoisotopic Mass:186.96328
Topological Polar Surface Area:22.1
Heavy Atom Count:9
Complexity:89.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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