화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals, Vol.690, No.1, 50-55, 2019
Synthesis, crystal structure and biological evaluation of 2,9-bis(2,3-difluorobenzyl)-beta-carbolineum bromide as an anticancer agent
Novel crystal 2,9-bis(2,3-difluorobenzyl)-beta-carbolineum bromide, C25H17BrF4N2 was synthesised through decarboxylation of ethyl beta-carboline-3-carboxylate with 2,3-difluorobenzyl bromide in the presence of sodium hydride in DMF, yield (81%). The structure was characterized by H-1- and C-13-NMR, FT-IR, MS (ESI-MS) spectrum and elemental analysis. Its crystal structure was determined by X-ray single-crystal diffraction. The crystal is monoclinic, space group C2/c with a = 21.0117(17), b = 15.4135(12), c = 13.0639(11) angstrom, b = 95.4101(19) (degrees), V = 4212.1(6) angstrom(3), Z = 8, F(000) = 2016, D-c = 1.581 g cm(-3) and mu = 2.00 mm(-1). A potential anticancer agents (IC50 = 1.05 +/- 0.08 mu M).