2-Benzoxazolecarboxylic acid, 5-chloro-, methyl ester

In the reaction flask, Under argon, a catalyst (9.9 mg, 0.025 mmol, 5 molpercent), potassium tert-butoxide (0.0672 g, 0.6 mmol) DMF (3.0 ml), 5-chlorobenzoxazole (76.79 mg, 0.5 mmol) was added to the carbon dioxide gas, and the reaction was stirred at 80 ° C for 18 hours under normal pressure. Cooled to 65 ° C, methyl iodide (93 μl, 1.5 mmol) was added, The reaction was stirred at 65 ° C for 1 hour. Cooled to room temperature, the reaction was terminated with deionized water, The reaction product was extracted with ethyl acetate and purified by column chromatography (Using a mixed solvent of ethyl acetate / petroleum ether in a volume ratio of 1:10 as a developing solvent) The yield was 82percent.

Molecular Weight:211.60
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:211.0036207
Monoisotopic Mass:211.0036207
Topological Polar Surface Area:52.3
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes