(diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxodibenzo[1,4,8,11]-tetraazacyclotetradecine-13,18-dicarboxylate(-2H))copper(II) | 223903-40-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxodibenzo[1,4,8,11]-tetraazacyclotetradecine-13,18-dicarboxylate(-2H))copper(II)
• 英文别名: (diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxodibenzo[1,4,8,11]tetraazacyclotetradecine-13,18-dicarboxylate)copper(II)；[Cu(2,3-dioxo-5,6:13,14-dibenzo-7,12-bis(ethoxycarbonyl)-1,4,8,11-tetraazacyclotetradeca-7,11-diene)]；copper;diethyl 3,4-dioxo-13,16-diaza-2,5-diazanidatricyclo[16.4.0.06,11]docosa-1(22),6,8,10,12,16,18,20-octaene-12,17-dicarboxylate
• CAS: 223903-40-0
• 化学式: C₂₄H₂₂CuN₄O₆
• 分子量: 526.008
• InChiKey: ZAGNOMHCISSMHF-UHFFFAOYSA-L

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：

  lanthanum(III) perchlorate hydrate 、 (diethyl 5,6,7,8,15,16-hexahydro-6,7-dioxodibenzo[1,4,8,11]-tetraazacyclotetradecine-13,18-dicarboxylate(-2H))copper(II) 以 乙醇 为溶剂， 以86%的产率得到[(Cu(2,3-dioxo-5,6:13,14-dibenzo-7,12-bis(ethoxycarbonyl)-1,4,8,11-tetraazacyclotetradeca-7,11-diene))4La](ClO4)3*3H2O
  参考文献：
  名称：

  SYNTHESIS AND CHARACTERIZATION OF OXAMIDO-BRIDGED PENTANUCLEAR [Cu(II)]₄Ln(III) COMPLEXES WITH A [14]N₄MACROCYCLIC OXAMIDE

  摘要：

  Seven novel oxamido-bridged pentanuclear copper(II)-lan-thanoid(III) complexes of a macrocyclic oxamide have been prepared by the strategy of "complexes as ligands" and characterized by elemental analyses, conductivity measurements, IR and UV-Visable spectra. The complexes are of formula [(CuL)(4)Ln](ClO4)(3). xH(2)O [Ln = La(III), Pr(III), Nd(III), Sm(III), Gd(III), Dy(III) and Er(III), x = 1, 2 or 3, H2L = 2,3-dioxo-5,6:13,14-dibenzo-7,12-bis(ethoxycarbonyl)-1,4,8,11-tetraazacyclotetradeca-7,11-diene]. The temperature dependence of the magnetic susceptibility of the [Cu4Gd] complex has been investigated and revealed ferromagnetic interaction between the Cu(II) and Gd(III) ions with the exchange integral J(CuGd) 0.76 cm(-1) (based on (H) over cap = -2J Sigma(s) over cap (i)(s) over cap (j)).

  DOI：

  10.1081/sim-100105252

文献信息

• Synthesis of and magnetic interactions in binuclear Cu(II)M(II) (M=Cu, Ni and Mn) complexes of macrocyclic oxamido ligands
  作者：En-Qing Gao、Hai-Ying Sun、Dai-Zheng Liao、Zong-Hui Jiang、Shi-Ping Yan

  DOI：10.1016/s0277-5387(01)01002-6

  日期：2002.3

  M=Cu and n=2 for M=Ni and Mn. The magnetic properties of the complexes with L=phen have been investigated and quantitatively interpreted using the Hamiltonian , suggesting antiferromagnetic interactions through the oxamido bridge with J=−210.2, −53.9 and −14.1 cm−1 for the Cu2, CuNi and CuMn complexes, respectively. Finally, the magnitudes of the Cu(II)M(II) interactions with M=Cu, Ni and Mn have been

  合成了六种含氧酰胺基桥联的双核Cu（II）M（II）（M = Cu，Ni和Mn）配合物，并通过IR，ESR和电子光谱对其进行了表征。它们的分子式为[Cu（L 2）M（L）n ]（ClO 4）2，其中H 2 L 2 = 2,3-dioxo-5,6：13,14-dibenzo-7,12-bis （乙氧羰基）-1,4,8,11-四氮杂环十四碳-7,11-二烯，L = 2,2'-联吡啶和1,10-菲咯啉（phen），n = 1，M = Cu，n = 2 M ＝ Ni和Mn。研究了L = phen配合物的磁性，并使用哈密顿量进行了定量解释。，表明分别对Cu 2，CuNi和CuMn配合物，通过草酰胺桥的反铁磁相互作用分别为J = -210.2，-53.9和-14.1 cm -1。最后，比较了Cu（II）M（II）与M = Cu，Ni和Mn相互作用的强度，并从质量上证明了这一点。
• Synthesis, crystal structure and magnetic properties of novel copper(II)–nickel(II) complexes of macrocyclic oxamides
  作者：En-Qing Gao*、Dai-Zheng Liao*、Zong-Hui Jiang、Shi-Ping Yan

  DOI：10.1016/s0277-5387(01)00755-0

  日期：2001.4

  Three novel oxamido-bridged heterobinuclear copper(II)–nickel(II) complexes derived from macrocyclic oxamido compounds have been synthesized and characterized by IR, ESR and electronic spectra. They are of the formula [(CuL1)Ni(pmtn)(NCS)]ClO4 (1), [Cu(L2)Ni(pmtn)(NCS)]ClO4 (2) and [(CuL3)Ni(pmtn)(NCS)]ClO4 (3), where H2L1=2,3-dioxo-5,6:14,15-dibenzo-7,13-bis(ethoxycarbonyl)-1,4,8,12-tetraazacyclopentadeca-7

  合成了三种新的由大环乙酰胺基化合物衍生的新的由乙酰胺基桥连的杂双核铜（II）-镍（II）配合物，并通过红外，电子共振（ESR）和电子光谱对其进行了表征。它们的分子式为[（CuL 1）Ni（pmtn）（NCS）] ClO 4（1），[Cu（L 2）Ni（pmtn）（NCS）] ClO 4（2）和[（CuL 3）Ni （pmtn）（NCS）] ClO 4（3），其中H 2 L 1 = 2,3-二氧代-5,6：14,15-二苯并-7,13-双（乙氧羰基）-1,4,8， 12-四氮杂环戊基-7,12-二烯，H 2 L 2= 2,3-二氧代-5,6：13,14-二苯并-7,12-双（乙氧羰基）-1,4,8,11-四氮杂环十四烷-7,11-二烯和H 2 L 3 = 2,3 -二氧代-5,6：13,14-二苯并-9-甲基-7,12-双（乙氧羰基）-1,4,8,11-四氮杂环十四碳-7,11-二烯。的晶体
• Heteronuclear Complexes of Macrocyclic Oxamide with Co-ligands:  Syntheses, Crystal Structures, and Magnetic Properties
  作者：Li-Na Zhu、Na Xu、Wei Zhang、Dai-Zheng Liao、Kazuyoshi Yoshimura、Ko Mibu、Zong-Hui Jiang、Shi-Ping Yan、Peng Cheng

  DOI：10.1021/ic061792m

  日期：2007.2.19

  The structure of 2 also has the oxamido-bridged trinuclear [MnIICuII2] structure units and consists of 2D layers formed by the linkage of copper(II) and manganese(II) atoms via the oxamido and mu1, 5-dca bridges. Complex 4 consists of oxamido-bridged tetranuclear [FeII2CuII2] molecules and arranges in 1D chains. Different co-ligands may result in different structures in this macrocyclic oxamide system

  四种异核配合物Mn（CuL）2（SCN）2（1），[Mn（CuL）2（mu-dca）2] .2H2O} n（2），Zn（CuL）2（SCN）2（3） ，和[Fe（CuL）（N3）2] 2（4）结合大环乙酰胺配体已经合成并在结构上进行了表征。L为5,6,7,8,15,16-六氢-6,7-二氧二苯并[1,4,8,11]-四氮杂环十四癸-13,18-二羧酸二乙酯的二价阴离子，dca为二氰胺。1或3的结构由草酰氨基桥连的三核[MIICuII2]分子组成（对于1，M是锰（II）离子，对于3，M是锌（II）离子）。它们都通过pi-pi相互作用由一维超分子链组成。2的结构还具有氧酰胺基桥联的三核[MnIICuII2]结构单元，并由2D层组成，该2D层是通过铜（II）和锰（II）原子通过氧酰胺基和mu1，5-dca桥连接而形成的。配合物4由草酰氨基桥联的四核[FeII2CuII2]分子组成，并排列在一维
• A New Class of Heterobinuclear Complexes: Crystal Structure and Magnetism of Copper(II)-Nickel(II) Complexes Incorporating Two Different Macrocyclic Ligands
  作者：En-Qing Gao、Jin-Kui Tang、Dai-Zheng Liao、Zong-Hui Jiang、Shi-Ping Yan、Geng-Lin Wang

  DOI：10.1002/1522-2675(20010418)84:4<908::aid-hlca908>3.0.co;2-q

  日期：2001.4.18

  14-hexamethyl-1,4,8,11-tetraazacyclotetradecane. The crystal structures of 1 and 2 were determined by single-crystal X-ray analysis. The NiII ion is pseudooctahedrally coordinated. The coordination geometry around the CuII ion in 2 is slightly distorted square planar, while that in 1 shows significant distortion towards a tetrahedral structure. The temperature dependence of the magnetic susceptibility

  合成了三种新型草酰氨基桥杂双核铜 (II)-镍 (II) 配合物，并结合了两种不同的四氮杂大环化合物，并通过 IR、ESR 和电子光谱进行了表征。它们的公式为 [(CuL1)Ni(rac-cth)](ClO)42⋅H2O (1)、[Cu(L2)Ni(rac-cth)](ClO4)2⋅0.5 EtOH (2) 和[(CuL3)Ni(rac-cth)]( )2· (3)。L1、L2 和 L3 是二乙基 5,6,7,8,16,17-hexahydro-6,7-dioxo-15H-dibenzo[e,n][1,4,8,12]tetraazacyclopentadecine- 13,19-二羧酸二乙酯、5,6,7,8,15,16-六氢-6,7-二氧代二苯并[1,4,8,11]四氮杂环四辛-13,18-二羧酸二乙酯和5,6,7二乙酯,8,15,16-hexahydro-15-methyl-6
• From “naked” copper(II) ions and asymmetric macrocyclic complex linkers with a monodentate top and a bidentate top to molecular rectangle and infinite molecular rectangle strands
  作者：Xiao-Zeng Li、Li-Na Zhu、Dai-Zheng Liao

  DOI：10.1016/j.ica.2007.09.030

  日期：2008.4

  A molecular rectangle[CuCuL1(NO3)}(H2O)(NO3)](2) (1) and two in. nite molecular rectangle strands [ CuCuL 1( NO3)} 2] 2H2O} 1 (2) and [CuCuL2(ClO4)}(2)]infinity(3) were prepared by reaction of "naked'' Cu(II) ions with macrocyclic complex ligands CuL1 for 1 and 2 and CuL 2 for 3 in metal-to-ligand molar ratios of 1: 1, 1: 2 and 1: 2, respectively. L-1 and L-2 denote the dianions of diethyl 5,6,7,8,15,16-hexahydro- 6,7-dioxodibenzo[ 1,4,8,11] tetraazacyclotetradecine-13,18-dicarboxylate and diethyl 5,6,7,8,15,16-hexahydro-15-methyl-6,7dioxodibenzo[ 1,4,8,11] tetraazacyclotetradecine-13,18-dicarboxylate, respectively. The structures of 1-3 were determined by X-ray single-crystal analyses. CuL 1 in 1 and 2 and CuL 2 in 3 act as angular linkers with a monodentate coordination top and a bidentate one between two Cu( II) nodes to enclose the molecular rectangle of 1 and the rectangular subunits of 2 and 3. The angular shape, the monodentate top plus bidentate top coordination mode and the self-complementarity for pi center dot center dot center dot pi interactions of the macrocyclic complex linkers, the ratio between the reactants and the octahedral coordination geometry of the naked Cu( II) ions jointly determined the interesting structures of metallocyclophane 1 and 1D double chain coordination polymers 2 and 3. The cavities of the rectangular molecules of 1 are arranged into in. nite strands so that parallel channels occur in the crystal. The molecules of 2 and 3 all pack parallel in the crystals. (c) 2007 Elsevier B. V. All rights reserved.