Research Article: 3,3′-(1,4-Phenyl­ene)bis­[2-(propyl­amino)­benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate

Date Published: May 01, 2012

Publisher: International Union of Crystallography

Author(s): Li Li, Yong-Nian Qu, Jian Gong, Yang-Gen Hu.


The title compound, C32H28N6O4·2C2H5OH, consists of two 2-(propyl­amino)­benzofuro[3,2-d]pyrimidin-4(3H)-one units connected, via one of the pyrimidine N atoms, to a bridging benzene ring in the 1,4 positions. Two ethanol solvent mol­ecules are also present. The main mol­ecule lies on a center of symmetry located at the center of the benzene ring. The fused-ring system of the benzofuro[3,2-d]pyrimidine moiety is nearly planar (r.m.s. deviation = 0.016 Å) and forms a dihedral angle of 78.21 (7)° with the central benzene ring. The crystal structure features O—H⋯O and N—H⋯O inter­actions. The C atoms of the propyl­amino side chain in the main mol­ecule and the ethyl group in the solvent mol­ecule are disordered over two positions, with site-occupancy factors 0.34:0.66 and 0.42:0.58, respectively.

Partial Text

The title compound may be used as a precursor for obtaining bioactive mol­ecules with antitumor activity, see: Bellarosa et al. (1996) ▶. For the biological activity of benzofuropyrimidine derivatives, see: Moneam et al. (2004 ▶); Bodke & Sangapure (2003 ▶). For the crystal structures of other fused pyrimidinone derivatives, see: Hu et al. (2005 ▶, 2006 ▶, 2007 ▶, 2008 ▶).