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

摘要

4,5-Dibromo-1-methyl-2-trichloroacetylpyrrole Ⅰ, prepared by the reaction of 1-me-thyl-2-trichloroacetylpyrrole with Br_2 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 P2_1/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; D_c = 2.213 g/cm~3, F(000) = 728, C_7H_4Br_2Cl_3NO, M_r = 384.28, λ = 0.71073 A, μ(MoKα) = 7.688 mm~(-1), Z = 4, R = 0.0338 and wR_2 = 0.0840 for 1963 observed reflections with Ⅰ > 2σ(I). Crystal data for Ⅱ: monoclinic system, space group P2_1 with a = 4.886(2), b = 15.921 (8), c = 11.635(6) A, β = 101.803(9)°, V = 885.9(7) A~3, D_c = 1.665 g/cm~3, F(000) = 440, C_(16)H_(16)Br_2N_2O_3, M_r = 444.13, λ = 0.71073 A, μ(MoKα) = 4.590 mm~(-1), Z = 2, R = 0.0335 and wR_2 = 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).