6,6'-DibroMo-N,N'-(2-ethylhexyl)-isoindigo

In a vacuum atmosphere under an atmosphere of inert gas, 6, 6-dibromoisoindole (Compound 3, 1.0 g, 2.93 mmol) and freshly dried potassium carbonate (2.43 g, 17.59 mmol) were added to a 100 ml three-necked flask. Anhydrous DMF (20 mL) followed by 1-bromo-2-ethylhexane (1.70 g, 8.79 mmol) was added to the resulting suspension. The mixture was heated to 100° C. and stirred for 15 hours then poured into water (500 mL). The organic phase was extracted with CH 2 Cl 2 , washed with brine, dried over MgSO 4 and the solvent was removed under reduced pressure. The dark red solid was purified by chromatography on silica. This was eluted with (CH2Cl2:hexane=2:3, volume ratio) to give 1.37 g of a brown solid (Compound 5) in a 90percent yield.c) 7 g (16.6 mmol, 1 eq) of 2, 8 g (41.7mmol, 2.5 eq) of 1-bromo-2-ethylhexane and 13.9 g (100 mmol, 6 eq) of KTo a solution of 6, 6'-dibromo-isoindigo (2.0 g, 4.76 mmol) in N, N-dimethyl formamide (DMF, 100 mL), tetrabutylammoniumbromide (0.1 g) and K

Molecular Weight:644.5
XLogP3:9.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:644.14360
Monoisotopic Mass:642.14565
Topological Polar Surface Area:40.6
Heavy Atom Count:38
Complexity:792
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes