(1,9-diamino-5-methyl-5-nitro-3,7-diazanonane)copper(II) perchlorate | 104198-53-0

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: (1,9-diamino-5-methyl-5-nitro-3,7-diazanonane)copper(II) perchlorate
• 英文别名: [Cu(1,9-diamino-5-methyl-5-nitro-3,7-diazanonane)](ClO4)2
• CAS: 104198-53-0
• 化学式: C₈H₂₁CuN₅O₂*2ClO₄
• 分子量: 481.734
• InChiKey: ZCZBJCZANPJVCG-UHFFFAOYSA-M

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：

  potassium bromide 、 (1,9-diamino-5-methyl-5-nitro-3,7-diazanonane)copper(II) perchlorate 以 水 、 乙腈 为溶剂， 以70%的产率得到[BrCu(1,9-diamino-5-methyl-5-nitro-3,7-diazanonane)](n)(ClO4)(2n)
  参考文献：
  名称：

  Ray, Ambarish; Maiti, Dipankar; Sheldrick, William S., Inorganica Chimica Acta, 2005, vol. 358, p. 3471 - 3477

  摘要：

  DOI：
• 作为产物：
  描述：

  硝基乙烷 、 bis(ethane-1,2-diamine)copper(II) perchlorate 在 triethanolamine 、 formaldehyde 作用下， 以 甲醇 、 水 为溶剂， 生成 (1,9-diamino-5-methyl-5-nitro-3,7-diazanonane)copper(II) perchlorate
  参考文献：
  名称：

  Comba, Peter; Curtis, Neil F.; Lawrance, Geoffrey A., Inorganic Chemistry, 1986, vol. 25, # 23, p. 4260 - 4267

  摘要：

  DOI：

文献信息

• Bernhardt, Paul V.; Lawrance, Geoffrey A.; Hambley, Trevor W., Journal of the Chemical Society, Dalton Transactions
  作者：Bernhardt, Paul V.、Lawrance, Geoffrey A.、Hambley, Trevor W.

  DOI：——

  日期：——
• Cyanometallate incorporated supramolecular networks based on a nitroalkyl-substituted CuIIN4 precursor: Synthesis, crystal structure, thermal and electrochemical studies
  作者：Ambarish Ray、Parikshit Chandra Mandal、Atish Dipankar Jana、William S. Sheldrick、Swastik Mondal、Monika Mukherjee、Mahammad Ali

  DOI：10.1016/j.poly.2008.06.035

  日期：2008.9

  Two new copper(II) complexes, viz. [Cu(nelin)(H2O)(2)](2)[Fe(CN)(6)] center dot 6H(2)O (2) and [Cu(nelin)}(2)Ni(CN)(4)]-(ClO4)(2) center dot 2H(2)O (3), have been synthesized using [Cu(nelin)](ClO4)(2) (1) (nelin = 1,9-diamino-5-methyl-5-nitro-3,7-diazanonane) as a nitroalkyl-substituted (CuN4)-N-II precursor, and their structures and supramolecular networks have been fully explored using the single crystal X-ray diffraction technique. The H-bonded 1 D chains of 2 run along the a-axis, being generated from supramolecular synthons using cations and anions, and are further propagated into a 3D array to form irregular honeycomb-like channels which are divided into two halves, with each half accomodating a helical water chain running in opposite directions to each other. In complex 3, the trinuclear units are arranged in successive rows in a herring-bone fashion and bifurcated hydrogen bonding through the uncoordinated terminals of the [Ni(CN)(4)](2-) units give rise to a supramolecular (4,4) network. A comparison of the PXRD pattern of complex 2 and its dehydrated form indicate marked changes in the diffraction pattern with the development of a quasi glassy nature in the dehydrated form. The electrochemical properties of 1, 2 and 3 have been investigated in comparative ways using the cyclic voltammetric technique in aqueous and MeCN solutions with Ag/ AgCl as a reference electrode. Electrochemical reduction generates the one-electron reduced nitro-radical anion. In water-alcohol glass at 77 K complex 2 exhibits a typical four-line hyperfine EPR spectra with g(parallel to) = 2.11, g(perpendicular to) = 2.02, A(parallel to) = 150 Oe and A(perpendicular to) = 5 Oe at nu = 9.45 MHz. (C) 2008 Elsevier Ltd. All rights reserved.
• μ-Cyano-1:2κ²<i>C</i>:<i>N</i>-tetracyano-1κ⁴<i>C</i>-(5-methyl-5-nitro-3,7-diazanonane-1,9-diamine-2κ⁴<i>N</i>^1,3,7,9)-nitrosyl-1κ<i>N</i>-copper(II)iron(II) dihydrate
  作者：Liang Shen、Yi-Jian Zhang、Guo-Ding Sheng、Hua-Tong Wang

  DOI：10.1107/s0108270102009149

  日期：2002.7.15

  The title binuclear complex, [CuFe(CN)(5) (C8H21N5O2)(NO)] .2H(2)O or [CuFe(nelin)(CN)(5)(NO)].2H(2)O (nelin is 5-methyl-5-nitro-3,7-diazanonane-1,9-diamine) consists of discrete binuclear mixed-metal species, with a Cu centre linked to an Fe centre through a cyano bridge, and two water molecules of crystallization. In the complex, the Cu-II ion is coordinated by five N atoms and has a distorted square-pyramidal geometry. The Fe-II centre is in a distorted octahedral environment.