4-Chloro-2-(trifluoromethyl)benzonitrile

Yellow liquid

Add 4-chloro-l-iodo-2-trifluromethylbenzene (1500 mg, 4.89 πunol), zinc cyanide (345 mg, 2.94 mmol), and tetrakis(triρhenylphosphine)ρalladium(0) (564 mg, 0.488 mmol) to anhydrous N, N-dimethylformamide (40 mL). Heat to 80 Add 4-chloro-l-iodo-2-trifluromethylbenzene (1500 mg, 4.89 πunol), zinc cyanide (345 mg, 2.94 mmol), and tetrakis(triρhenylphosphine)ρalladium(0) (564 mg, 0.488 mmol) to anhydrous N, N-dimethylformamide (40 mL). Heat to 80 Add Add 4-chloro-l-iodo-2-trifluromethylbenzene (1500 mg, 4.89 piunol), zinc cyanide (345 mg, 2.94 mmol), and tetrakis(trirhohenylphosphine)rhoalladium(0) (564 mg, 0.488 mmol) to anhydrous N, N-dimethylformamide (40 mL). Heat to 80 0C overnight. Cool to room temperature, dilute with toluene, wash with 2 N ammonium hydroxide (3x), saturated aqueous sodium chloride, dry, filter, concentrate to give a residue. Chromatograph the residue on silica gel eluting with hexanes/dichloromethane, to give 4- chloro-2-trifluoromethylbenzonitrile (630 mg, 63percent): 1H NMR (400 MHz, CDCl3) delta 7.81- 7.78 (m, 2H), 7.67 (dd, IH, J = 8.4, 2.4 Hz).Stage 1:

Molecular Weight:205.56
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Exact Mass:204.9906113
Monoisotopic Mass:204.9906113
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes