5-Benzothiazolecarbonitrile,2-methyl-(7CI,9CI)

General procedure: Under argon protection, NiCl2·6H2O (0.05mmo 1, 11.9mg), dppf (0.06mmol, 33.3mg), Ζn (0·2mmol, 13.0mg), DMAP (1.0mmol, 122.2mg), Ζn(CN)2 (0.8mmol) , 93.9mg), p-Chloroanisole (1.0 mmol, 140.6 mg) and acetonitrile (5.0 mL) were sequentially added in a 25.0 mL sealed tube, then directly put it into the oil bath at 60 °C, and heating was stopped after 6h, and cooled to room temperature, the reaction solution was directly filtered through a short silica gel column, washed with dichloromethane, concentrated and purified by silica gel column chromatography( given that the product is most easily pulled out, in order to avoid loss of sample mix, unless otherwise noted, both are wet method). Eluent: petroleum ether / ethyl acetate = 20:1, the product was 117.2 mg as a white solid, yield 88percent, and 1H NMR purity was greater than 98percent.Commercially available 5-bromo-2-methylbenzothiazole (1.42 g), zinc(II) cyanide (584 mg) and tetrakis(triphenylphosphine)palladium(0) (360 mg) were dissolved in dry DMF (12 mL), degassed and stirred at 80° C. under argon. After 16 h the mixture was evaporated and diluted with chloroform. The solution was washed with 1N hydrochloric acid, 1N sodium hydroxide and brine, dried (MgSO

Molecular Weight:174.22
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Exact Mass:174.02516937
Monoisotopic Mass:174.02516937
Topological Polar Surface Area:64.9
Heavy Atom Count:12
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes