2-CHLORO-6-(TRIFLUOROMETHYL)NICOTINALDEHYDE

2-Chloro-6-(trifluoromethyl)nicotinaldehyde. A 100 mL round-bottom flask was charged with (2-chloro-6-(trifluoromethyl)pyridin-3-yl)methanol (1.00 g, 4.73 mmol), 10 mL of DCM, PCC (2.04 g, 9.45 mmol, Aldrich), and 6.00 g of silica gel. After stirring at room temperature for 3 hours, the mixture was filtered through a pad of silica rinsing with 4: 1 EtOAc/hexane. After concentrating in vacuo 2-chloro-6- (trifluoromethyl)nicotinaldehyde (0.805 g, 81 percent) was obtained as a colorless oil. 2-Chloro-6-(trifluoromethyl)nicotinonitrile (340 mg, 1.65 mmol) was diluted with toluene (2.0 rnL), placed under nitrogen and cooled to -78°C. DIBAL-H (3292 μl, 3.29 mmol) was added dropwise and the reaction was stirred for 1 hour. The reaction was warmed to 0

Molecular Weight:209.55
XLogP3:2.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:208.9855259
Monoisotopic Mass:208.9855259
Topological Polar Surface Area:30
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes