Compound 53: Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper

DOI: 10.14469/hpc/11400 Metadata

Created: 2022-10-12 09:57

Last modified: 2024-07-08 10:20

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Crystal structure, NMR and IR data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper (53): Cu(OAc)2•H2O (68.0 mg, 0.340 mmol, 1.00 equiv) was added with stirring to pyrazolone 8 (188 mg, 0.681 mmol, 2.00 equiv) in EtOH (3.5 mL) at 79 °C. After 3.5 h at reflux, the mixture was cooled to room temperature, and the resultant precipitate was collected by filtration and dried in vacuo. Cu-pyrazolone complex 53 (103 mg, 0.146 mmol, 43%) was obtained as a green-brown solid. Crystals suitable for X-ray crystallography were obtained by slow evaporation from an ethanolic pyridine solution of complex 53. IR (Diamond-ATR, neat) νmax (cm-1) = 1662, 1560, 1550, 1525, 1511, 1465, 1437, 1414, 1329, 1236, 1217, 1183, 1173, 1115, 1040, 1010, 794, 778. HRMS (ES-ToF) m/z: [M – Solvent + H]+ calc. for (C28H31CuN4O8)+: 614.1432, found: 614.1454. m.p.: 211 – 213 °C (EtOH). Anal. Calcd for C28H30CuN4O8 ∙ 0.65 CuO: C, 50.51; H, 4.54; N, 8.41. Found: C, 50.46; H, 4.57; N, 8.39.

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DOIDescription
10.14469/hpc/10386 Syntheses and Characterization of Main Group, Transition Metal, Lanthanide and Actinide Complexes of Bidentate Acylpyrazolone Ligands

Members

DOIDescription
10.14469/hpc/11496 IR data for Compound 53.
10.14469/hpc/11421 Primary crystal structure data for Compound 53. Bis(ethanol) bis((4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-yl)oxy)copper

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