copper;diethyl 19,20-dioxo-3,10-diaza-18,21-diazanidatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),2,4,6,8,10,12,14,16,22,24-undecaene-2,11-dicarboxylate | 223903-47-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: copper;diethyl 19,20-dioxo-3,10-diaza-18,21-diazanidatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),2,4,6,8,10,12,14,16,22,24-undecaene-2,11-dicarboxylate
• CAS: 223903-47-7
• 化学式: C₂₈H₂₂CuN₄O₆
• 分子量: 574.052
• InChiKey: PKGAHZPDKNXRMM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  manganese(II) perchlorate hexahydrate 、 copper;diethyl 19,20-dioxo-3,10-diaza-18,21-diazanidatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),2,4,6,8,10,12,14,16,22,24-undecaene-2,11-dicarboxylate 以 乙醇 为溶剂， 以83%的产率得到
  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
• 作为产物：
  描述：

  copper(II) acetate monohydrate 、 diethyl 2,2'-(oxalyldiimino)bis(phenylglyoxylate) 、 邻苯二胺 在 triethylamine 作用下， 以 乙醇 为溶剂， 以80%的产率得到copper;diethyl 19,20-dioxo-3,10-diaza-18,21-diazanidatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),2,4,6,8,10,12,14,16,22,24-undecaene-2,11-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 and magnetism of the first tetranuclear copper(II)–iron(III) complexes of macrocyclic oxamides
  作者：En-Qing Gao、Guang-Ming Yang、Jin-Kui Tang、Dai-Zheng Liao、Zong-Hui Jiang、Shi-Ping Yan

  DOI：10.1016/s0277-5387(99)00297-1

  日期：1999.12

  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.