Trans-rac-[1-Oxo-2-phenethyl-3-(2-thien-yl)-1,2,3,4-tetra-hydro-isoquinolin-4-yl]methyl 4-methyl-benzene-sulfonate.

ABSTRACT: The title compound, C(29)H(27)NO(4)S(2), was synthesized by reaction of trans-rac-4-(hydroxy-meth-yl)-2-phenethyl-3-(thio-phen-2-yl)-3,4-dihydro-isoquinolin-1(2H)-one and 4-methyl-benzene-1-sulfonyl chloride in the presence of Et(3)N in CH(2)Cl(2). The relative orientations of the benzene ring (A) of the 3,4-dihydro-isoquinolinone ring system, the thio-phene ring (B), the benzene ring (C) of the methyl-benzene group and the phenyl ring (D) result in the following dihedral angles: A/B = 80.91?(16), A/C = 22.79?(18), A/D = 9.9?(2), B/C = 80.73?(19), B/D = 88.9?(2) and C/D = 29.9?(2)°. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Akkurt M 

PROVIDER: S-EPMC2959401 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature