ETHYL 2-BROMOISONICOTINATE
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ETHYL 2-BROMOISONICOTINATE
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CAS No:
89978-52-9
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Formula:
C8H8BrNO2
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Chemical Name:
ETHYL 2-BROMOISONICOTINATE
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Synonyms:
RARECHEM AL BI 1524;ETHYL 2-BROMOISONICOTINATE;2-Bromopyridine-4-carboxylic acid ethyl ester;4-Pyridinecarboxylic acid, 2-broMo-, ethyl ester;ETHYL 2-BROMOISONICOTITE
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CAS No:
ETHYL 2-BROMOISONICOTINATE Use and Manufacturing
In a 100 mL two-necked flask, 2.10 g of 2-bromo-4-carboxylatepyridine, 2.01 g of 3, 5-dimethoxyphenylboronic acid, 4.86 g of potassium carbonate, and 0.66 g of tetrakis(triphenylphosphine)palladium, toluene were added. 60 mL, heated at 110 C for 20 hours. After cooling to room temperature, the solution was washed with water (3×60 mL). The organic layer was dried with anhydrous MgSO4, filtered and evaporated. Purification by column chromatography (eluent:Petroleum ether / ethyl acetate = 80:1) gave 1.47 g of a white product.The yield was 56%.
Computed Properties
Molecular Weight:230.06
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:228.97384
Monoisotopic Mass:228.97384
Topological Polar Surface Area:39.2
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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