2-Chloro-4-fluorobenzonitrile

semi-transparent crystalline chunks

General procedure: A solution of 2 M Na2CO3 (10 mL) was added under nitrogen to a 2-bromoaniline (10 mmol) in 60 mL dioxane. After 5 min stirring at 75 C, Pd[P(C6H5)3]4 was added followed by (10 mmol) of a 2-cyanophenylboronic acid pinacol ester. The reaction was stirred 8 h at 100 C. After cooling to rt the mixture was vacuum concentrated to half of its initial volume and extracted with CH2Cl2 (30 mL) and water (30 mL). The aqueous phase was extracted with CH2Cl2 (3×20 mL). The combined organic layers were washed with brine, dried over Na2SO4 and evaporated. The solid crystallized upon concentration.Step 1: Synthesis of 9-fluoro-6-phenanthridinamine To a solution of Step 1: synthesis of 9-fluoro-6-phenanthridine amine Ethanol (64 mL) was added to a stirred solution ofNH2OH·HCl (2.40 g, 34 mmol, 1.3 eq.) and Na2CO3(1.83 g, 17 mmol, 0.65 eq.) in water (16 mL). Afterstirring for 25 min, a) 2-Chloro-4-(2H-1, 2, 3-friazol-2-yl)benzonitrile I71 A mixture of 2H-1, 2, 3-triazole (553 mg, 8.0 mmol) and NaH (60% dispersion in oil, 192 mg, 4.8 mmol) in DMF (20 ml.) was stirred at 0 C for 30 min, then a solution of a) 2-Chloro-4-(2H-1, 2, 3-friazol-2-yl)benzonitrile I71 A mixture of 2H-1, 2, 3-triazole (553 mg, 8.0 mmol) and NaH (60% dispersion in oil, 192 mg, 4.8 mmol) in DMF (20 ml.) was stirred at 0 C for 30 min, then a solution of

Intermediate for medicine, pesticide, liquid crystal material.

Molecular Weight:155.55
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Exact Mass:154.9938050
Monoisotopic Mass:154.9938050
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes