Research Article: 2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxyl­ate

Date Published: February 01, 2012

Publisher: International Union of Crystallography

Author(s): Gui-Fen Lu, Min Zhu, Wei-Hua Zhu, Zhong-Ping Ou.


The title pyrrole derivative compound, C12H17NO4, was synthesized from methyl 3-oxopenta­noate by a Knorr-type reaction and contains a pyrrole ring to which two diagonal alk­oxy­carbonyl groups and two diagonal alkyl substituents are attached. The methyl­carbonyl and ethyl­carbonyl substituents are approximately co-planar with the pyrrole ring, making dihedral angles of 5.64 (2) and 3.44 (1)°, respectively. In the crystal, adjacent mol­ecules are assembled by pairs of N—H⋯O hydrogen bonds into dimers in a head-to-head mode.

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For applications of polysubstituted pyrroles, see: Brockmann & Tour, (1995 ▶); Guilard et al. (2001 ▶); Trofimov et al. (2004 ▶). For related structures, see: Lu et al. (2011 ▶); Takaya et al. (2001 ▶). For complexes of pyrrole derivatives, see: Fan et al. (2008 ▶); Ou et al. (2009 ▶); Paixão et al. (2003 ▶); Yamamoto et al. (1986 ▶).