5-Chloro-2-methyl-1H-indole

light pink to beige-pale brown crystalline powder

Synthesis of 5-chloro-2-methylindole In a stainless steel autoclave having an internal volume of 100 mL, 1.09 g (5.1 mmol) of 5-chloro-2-nitrophenylacetone, 72 mg (4 mol percent) of cyclopentadienyidicarbonyliron (dimer) and 40 g of toluene were placed under nitrogen atmosphere. After the atmosphere inside of the reactor was substituted by nitrogen gas (10 kgf/cm2) three times, carbon monoxide gas was injected (30 kgf/cm2), and the resulting mixture was reacted at a temperature of 120 C. for 5 hours. After cooling, the reaction solution was subjected to quantitative analysis with liquid chromatography. As a result of it, it was confirmed that 5-chloro-2-nitrophenylacetone was completely disappeared. Thereafter, post-treatment was conducted, and the main product was isolated with silica gel chromatography to obtain 0.79 g (yield 94.0percent) of 6-fluoro-2-methylindole.General procedure: In a 50 ml round bottom flask containing magnetic stir bar was charged with o-nitro benzaldehydes (2 mmol), phosphorane (2.2 mmol), triphenyl phosphine (4.6 mmol) and diphenyl ether (10 mL) and heated at 260

Molecular Weight:165.62
XLogP3:2.7
Hydrogen Bond Donor Count:1
Exact Mass:165.0345270
Monoisotopic Mass:165.0345270
Topological Polar Surface Area:15.8
Heavy Atom Count:11
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes