Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene-2,2'(-1H))2 | 309956-64-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene-2,2'(-1H))2
• 英文别名: Cu(3,3',5,5'-tetramethyl-4,4'-dibutyl-2,2'-dipyrrolylmethene-H)2；Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene(-1))2；Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene-H)2；Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene)2
• CAS: 309956-64-7
• 化学式: C₄₂H₆₂CuN₄
• 分子量: 686.527
• InChiKey: FJUUZSAOKJBOHE-OWJQTFHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene-2,2'(-1H))2 以 solid 为溶剂， 生成 氮 、 copper(II) oxide
  参考文献：
  名称：

  Thermal properties of ligands, salts and metal complexes of linear oligopyrroles

  摘要：

  The effect of structure on the thermal properties of dipyrrolylmethanes, dipyrrolylmethenes, bis (dipyrrolylmethenes), their salts, and chelates is analyzed proceeding from the results of thermogravimetric analysis. The common tendency is a decrease in the thermal stability of compounds with a disturbed symmetry of alkyl substitution of ligands and with a higher degree of their alkylation, with the increased size of alkyl substituents, with the nitrogen atom in the five-member cycles replaced by S or O. The opposite effect occurs at the change in the mode of attaching methylene spacer in going from 2,2'- to 3,3'-bis(dipyrrolylmethenes). The effects of the themostabilization of the ligands of linear oligopyrroles in the composition of chelates and HBr salts are evaluated quantitatively.

  DOI：

  10.1134/s1070363209090163
• 作为产物：
  描述：

  Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene(-1))2 * 2(pyridine) 以 neat (no solvent) 为溶剂， 生成 Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene-2,2'(-1H))2
  参考文献：
  名称：

  Peculiarities of the interspecies interactions of metallocomplexes of structurally similar α,α-dipyrrolylmethene and porphyrin with organic solvents

  摘要：

  It was revealed that the ML2 complexes (L- is the anion of 3,3', 5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene; M = Cu2+, Zn2+) are coordinatively unsaturated and, therefore, are able to coordinate electrondonor molecular ligands (pyridine and dimethylformamide (DMFA)) with the formation of ML2 (Solv)(2) solvates stable in solutions and in the solid phase. The thermal decomposition of the crystal solvates prepared by isothermal vaporization of the solvent from solutions of the oligopyrrole chelates in pyridine, DMFA, and benzene was studied. Thermogravimetric measurements made it possible to determine the composition and temperature of onset of the decomposition of the crystal solvates and the enthalpy of vaporization of the solvent from them. Calorimetry of dissolution was used to investigate the transfer of the chelates from benzene into pyridine and DMFA and the extracoordination of electron-donor molecular ligands in solutions. The overall energetic characteristics of the ML-Solv interspecies interactions in the crystal solvates and solutions exhibited a close correlation. A comparison of the properties of ML2 and their structural analogues, MPs (H2P is 2,8,12,18-tetramethyl-3,7,13,17-tetrabutylporphyrine), demonstrated how cyclization affect the coordination properties of oligopyrrole chelates.

  DOI：

  10.1134/s0036024406130012

文献信息

• Influence of metal cation on chromophore properties of complexes of some d metals with α,α-dipyrrolylmethene
  作者：G. B. Guseva、E. V. Antina、M. B. Berezin、A. I. V’yugin

  DOI：10.1007/s11176-005-0152-y

  日期：2004.8

  In complexes of Cu2+, Ni2+, Co2+, Zn2+, and Hg2+ with 3,3′,5,5′-tetramethyl-4,4′-dibutyl-2,2′-dipyrrolylmethene, the d-metal ion exerts an auxochromic effect on the π system of the ligand, manifested in a bathochromic shift of the first absorption band in the spectrum of the complex, compared to the free ligand. Polarization of the chromophore π system in the complexes increases in the order Zn2+ < Hg2+ < Co2+ < Ni2+ < Cu2+. The Hg2+ ion in the complex with dipyrrolylmethene participates in mercuration of benzene and chloroform; the reaction with chloroform is faster, with the rates of both reactions strongly depending on temperature.

  在Cu2+、Ni2+、Co2+、Zn2+和Hg2+与3,3′,5,5′-四甲基-4,4′-二丁基-2,2′-二吡咯基甲烯的复合物中，d-金属离子对配体的π系统产生助色效应，表现为与游离配体相比，复合物光谱中第一吸收带的色散移位。复合物中发色团π系统的极化顺序为Zn2+氯仿的反应速度更快，两种反应的速度都强烈依赖于温度。
• Reactivity of α,α-dipyrrolylmethene in reactions with some Co(II) and Cu(II) complexes
  作者：G. B. Guseva、E. V. Antina

  DOI：10.1134/s1070328406070098

  日期：2006.7

  Reactivity of 3,3',5,5'-tetramethyl-4,4'dibutyldipyrrolylmethene (HL) in reactions with Co(II) and Cu(II) acetates, acetylacetonates, and valinates in DMF (298.15 K) was estimated by spectrophotometric and calorimetric titration methods. The product of the exchange reaction between HL and Co acetate or acetylacetonate was found to be CoL2 complex. With an excess of Cu(H) acetate or acetylacetonate, the reaction resulted in mixed-ligand complexes CuL(AcO) and CuL(Acac), while with an excess of HL, the CuL2 complex was formed. Irrespective of the reagent concentration ratios, the exchange reactions with Cu(II) and Co(II) valinates gave ML(Val) complexes. Thermodynamic parameters of HL reactions with Cu(II) and Co(II) acetates, acetylacetonates, and valinates were determined.
• ——
  作者：G. B. Guseva、E. V. Antina、A. S. Semeikin、M. B. Berezin、A. I. V'yugin

  DOI：10.1023/a:1020812804207

  日期：——

  Complexes of Cu2+, Ni2+, Co2+, Zn2+, and Hg2+ with 4,4'-dibutyl-3,3',5,5'-tetramethyldipyrrolyl-methene were synthesized. The stoichiometric compositions of the complexes in solution and in crystal were determined, and their electronic absorption spectra and thermooxidative degradation were studied.