Received 14 March 2013
The title compound, C12H12BrNO4S2, was obtained by the Sandmeyer reaction from ethyl 3-amino-4-cyano-5-[(2-ethoxy-2-oxoethyl)sulfanyl]thiophene-2-carboxylate. The dihedral angle between the thiophene ring and linked CO2 ester group is 2.0 (5)°.
For background literature on the use of 3-amino-4-cyano-5-ethoxycarbonylmethylsulfanyl-thiophene-2-carboxylic acid ethyl ester as an important intermediate compound for the synthesis of thienopyrimidine derivatives, which are thought to be potential biologically active compounds or pharmaceuticals, see: Liu et al. (2008). For a related compound, see: Padmavathi et al. (2011).
Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZJ2102 ).
The authors appreciate the help of Dr Haibin Song in Nankai University for the crystal X-ray measurement.