copper;diethyl 3,4-dioxo-13,17-diaza-2,5-diazanidatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,12,17,19,21-octaene-12,18-dicarboxylate | 223903-45-5

• 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: copper;diethyl 3,4-dioxo-13,17-diaza-2,5-diazanidatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,12,17,19,21-octaene-12,18-dicarboxylate
• CAS: 223903-45-5
• 化学式: C₂₅H₂₄CuN₄O₆
• 分子量: 540.035
• InChiKey: RONOAQHYAHPUCW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  iron perchlorate hexahydrate 、 copper;diethyl 3,4-dioxo-13,17-diaza-2,5-diazanidatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,12,17,19,21-octaene-12,18-dicarboxylate 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and magnetism of the first tetranuclear copper(II)–iron(III) complexes of macrocyclic oxamides

  摘要：

  Four novel tetranuclear macrocyclic complexes of the formula [(CuL')(3)Fe](ClO4)(3). 3H(2)O (i = 1-4, L' are the dianions of the [14]N-4 and [15]N-4 macrocyclic oxamides, namely 2,3-dioxo-5,6:13,14-dibenzo-7,12-bis(ethoxycarbonyl)-1,4,8,11-tetraazacyclotetradeca-7,11-diene, 2,3-dioxo-5,6:13, 14-dibenzo-9-methyl-7,12-bis(ethoxycarbonyl)-1,4,8,11-tetraazacyclotetradeca-7,11-diene and 2,3-dioxo-5,6:14,15-dibenzo-7,13-bis(ethoxycarbonyl)-1,4,8,12-tetraazacyclotetradeca-7,12-diene] have been prepared and characterized. These complexes are the first examples of oxamido-bridged Cu(II)-Fe(III) heterometallic species. Cryomagnetic studies on [(CuL1)(3)Fe](ClO4)(3). 3H(2)O (1) and [(CuL3)(3)Fe](ClO4)(3). 3H(2)O (3) (77-300 K) revealed that the Cu(II) and Fe(III) ions interact antiferromagnetically through the oxamido bridge, with the exchange integral J=-30.8 cm(-1) for 1 and J=-28.7 cm(-1) for 3 based on (H) over cap = -2J Sigma (S) over cap(i)(S) over cap(j). The interaction parameters have been compared with that of the related [Cu3Mn] compound. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00297-1
• 作为产物：
  描述：

  copper(II) acetate monohydrate 、 diethyl 2,2'-(oxalyldiimino)bis(phenylglyoxylate) 、 1,3-丙二胺 在 triethylamine 作用下， 以 乙醇 为溶剂， 以73%的产率得到copper;diethyl 3,4-dioxo-13,17-diaza-2,5-diazanidatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,12,17,19,21-octaene-12,18-dicarboxylate
  参考文献：
  名称：

  Synthesis and Characterization of New Cu(II) and [Cu^IIMn^II] Complexes of Macrocyclic Oxamides

  摘要：

  DOI：

  10.1080/00945719909349510

文献信息

• 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
• 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