2-Bromo-4-chlorobenzonitrile

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2-Bromo-4-chlorobenzonitrile; 588 mg (2.5 mmol) of 2-bromo-4-chlorobenzoic acid and 300 mg of urea are dissolved in dichloromethane/methanol and concentrated onto 364 mg of alumina (neutral) on a rotary evaporator. The residue is microwaved at 150° C. for a total of 60 min. After cooling, the residue is stirred with ethyl acetate and water, filtered, and the aqueous phase is separated. The organic phase is washed with a sodium hydrogen carbonate solution, dried over sodium sulfate, concentrated on a rotary evaporator and then dried under high vacuum. The product (383 mg, 80percent pure, 57percent of theory.) is reacted further without additional purification.To a solution of In 25 ml in the reactor, adding 2 - bromo -4 - chloroaniline (0.041 g, 0.2 mmol) and cuprous iodide (0.008 g, 0 . 04 mmol) butyl potassium (0.045 g, 0.4 mmol), vacuum replace the nitrogen after three times into the phenylacetylene (0.031 g, 0.3 mmol) and water (0.011 g, 0.6 mmol), in anhydrous 1, 4 - dioxane 1.5 ml, 110 C under stirring 16 h after. Column chromatography (silica gel, 200 - 300 mesh; developing agent, petroleum ether: ethyl acetate=10:1) to obtain 5 - chloro -3 - (benzylidene) isoindoline -1 - one 0.038 g, yield 74%.

Molecular Weight:216.46
XLogP3:3
Hydrogen Bond Acceptor Count:1
Exact Mass:214.91374
Monoisotopic Mass:214.91374
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes