5-Chloro-7-methyl-1H-indole-3-carboxaldehyde

Phosphorus oxychloride (422 uL, 4.53 mmol) was added drop wise to dry DMF (2 mL) at -20 C and stirred at -5 C for 30 minutes. A solution of 5-chloro-7-methylindole (500 mg, 3.02 mmol) in dry DMF (3 mL) was added to the above mixture at -20 C. The cooling bath was removed and the mixture was allowed to warm to room temperature. After one hour, the reaction was poured onto ice, basified with solid NaOH and stirred for an additional 15 minutes. The resulting precipitate was filtered to give the title compound as a pale-yellow solid (450 mg). [M + H+]: m/z 194/196.

Molecular Weight:193.63
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:193.0294416
Monoisotopic Mass:193.0294416
Topological Polar Surface Area:32.9
Heavy Atom Count:13
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes