Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper

DOI: 10.14469/hpc/10385 Metadata

Created: 2022-04-22 11:30

Last modified: 2024-11-22 09:47

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Crystal structure, IR and Computational data for Bis(ethanol) bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper (56): Cu(OAc)2•H2O (85.0 mg, 0.426 mmol, 1.00 equiv) was added with stirring to pyrazolone 5 (133 mg, 0.852 mmol, 2.00 equiv) in EtOH (3.5 mL) at 79 °C. After 18 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 56 (151 mg, 0.324 mmol, 76%) was obtained as a dark green solid. Crystals suitable for X-ray crystallography were obtained by slow evaporation from an ethanolic pyridine solution of complex 56. IR (Diamond-ATR, neat) νmax (cm-1) = 3287, 1676, 1636, 1546, 1523, 1438, 1317, 1171, 1105, 1066, 938, 784, 763, 747. HRMS (ES-ToF) m/z: [M – Solvent + H]+ calc. for (C12H15CuN4O6)+: 374.0282, found: 374.0051. m.p.: 235 – 238 °C (EtOH). Anal. Calcd for C12H14CuN4O6 ∙ 0.25 CuO: C, 36.61; H, 3.58; N, 14.23. Found: C, 36.58; H, 3.60; N, 13.01.

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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/11299 Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper. Computational data
10.14469/hpc/11504 IR Spectrum for Compound 56
10.14469/hpc/11300 Crystal data for Compound 56.

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