Syntheses and Crystal Structures of Methyl 2-（4,5-Dibromo- 1-methylpyrrole-2-carbonylamino）-3-phenyl propanoate and 4,5-Dibromo-1-methyl-2-trichloroacetylpyrrole

1 INTRODUCTION Pyrrole and its derivatives have attracted much attention due to their chemical properties as well as biological activities1]. They have been widely used as the materials to produce pharmaceutical, essences, biochemicals, etc. It has been found that a great deal of pyrrole derivatives present bioactivities, such as antitumor and antiviral activities2~5]. Thus, due to the interest in exploring the syntheses of potential bioactive materials which contain pyrrole ring andna…

Syntheses and Crystal Structures of Methyl 2-(4,5-Dibromo-1-methylpyrrole-2-carbonylamino)-3-phenyl propanoate and 4,5-Dibromo-1-methyl-2- trichloroacetylpyrrole

4,5-Dibromo-1-methyl-2-trichloroacetylpyrrole I, prepared by the reaction of 1-methyl-2-trichloroacetylpyrrole with Br2 in 98.6 % yield, was condensed with methyl L-2-amino-3- phenylpropanoate to afford methyl 2-(4,5-dibromo-1-methylpyrrole-2-carboxamido)-3-phenylpropa- noate II in 90.8% yield. Crystal data for I: monoclinic system, space group P21/c with a = 8.595(3), b = 10.900(4), c = 12.321(5)(A), β= 92.292(7)°, V = 1153.4(8)(A)3, Dc = 2.213 g/cm3, F(000) = 728, C7H4Br2Cl3NO, Mr = 384.28, λ = 0.71073(A), μ(MoKα) = 7.688 mm-1, Z = 4, R = 0.0338 and wR2 = 0.0840 for 1963 observed reflections with I > 2σ(I). Crystal data for II: monoclinic system, space group P21 with a = 4.886(2), b = 15.921(8), c = 11.635(6)(A), β = 101.803(9)°, V = 885.9(7)(A)3, Dc = 1.665 g/cm3, F(000) = 440, C16H16Br2N2O3, Mr = 444.13, λ = 0.71073 (A), μ(MoKα) = 4.590 mm-1, Z = 2, R = 0.0335 and wR2 = 0.0837 for 3191 observed reflections with I > 2σ(I). The crystal structure reveals that compound II forms the one-dimensional chain structure via the intermolecular hydrogen bonds of N(2)-H…O(1).