| 172546-33-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 172546-33-7
• 化学式: C₁₄H₂₀CuN₂O₈*H₂O
• 分子量: 425.883
• InChiKey: BBJXFDQSGSKXIY-HSTMFJOWSA-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：

  吡嗪 、 以 水 为溶剂， 以37.1%的产率得到
  参考文献：
  名称：

  Syntheses and crystal structures of cdta (trans-cyclohexane-1,2-diamine–N,N,N′,N′-tetra-acetate)-based copper(II) dimers and polymers

  摘要：

  Four cdta (trans-cyclohexane-1,2-diamine-N,N,N',N'-tetra-acetate)-based copper(II) compounds, [(H(2)cdta)Cu(4,4'-bpy)Cu(H(2)cdta)].4,4'-bpy . 2H(2)O (1), [(H(2)cdta)Cu(pyz)-Cu(H(2)cdta)]. 14H(2)O (2), [Cu(cdta)Cu(H2O)(3)(4,4'-bpy)](n). 8nH(2)O (3) and [{Cu(cdta)(H2O)(2)}(2)(pyz)](n). 4nH(2)O (4), were obtained from a Cu2+-diimine-cdta system (4,4'-bpy=4,4'-bipyridine and pyz=pyrazine). The X-ray crystallography analysis shows that 1 and 2 are diimine-bridged dimers, 3 has an infinite zigzag configuration and 4 contains a 'step ladder'-like structure. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00447-1
• 作为产物：
  描述：

  1,2-环己二胺四乙酸 、 copper diacetate 以 水 为溶剂， 生成
  参考文献：
  名称：

  Poznyak; Burshtein, Russian Journal of Inorganic Chemistry, 1999, vol. 44, # 1, p. 47 - 49

  摘要：

  DOI：

文献信息

• Copper(II) and nickel(II) chelates with dihydrogen Trans-1,2-diaminocyclohexane-N,N,N′,N′-tetraacetate(2−) ion (H2CDTA2−). Synthesis, XRD structure and properties of [Cu(H2CDTA)]·H2O and [Ni(H2CDTA)(H2O)·4H2O
  作者：J.D. Martín-Ramos、J.M. Tercero-Moreno、A. Matilla-Hernández、J. Niclós-Gutiérrez、A. Busnot、S. Ferrer

  DOI：10.1016/0277-5387(95)00281-v

  日期：1996.2

  Stoichiometric reactions of metal hydroxycarbonates with the acid trans-1,2-cyclohexanediaminotetraacetic acid (H(4)CDTA) in water under reduced pressure yielded [Cu(H(2)CDTA)]. H2O (I) and [Ni(H(2)CDTA)(H2O)]. 4H(2)O (II). Both compounds were characterized by TG-DTA analysis, spectral properties (IR, reflectance and RSE) and X-ray diffraction. In I the copper(II) atom exhibits a distorted square-base coordination (type 4+1) by chelation of one H(2)CDTA(2-) ligand through two N and two O (carboxylate) at the square base and one O (carboxylic) at the apex of the coordination polyhedron; a second carboxymethyl group of H(2)CDTA(2-) remains free. In II the H(2)CDTA(2-) chelating ligand also plays a quinquedentate role, but one water molecule achieves the slightly distorted octahedral coordination of the nickel(II) atom. Appropriate comparisons with the structure of [M(H(2)EDTA)(H2O)] (M - Ni, Cu) complexes suggest that the steric constraints in the H(2)CDTA ligand promotes the distorted five-coordination of the Cu-II chelate in I as well as the hydration of the nearly octahedral Ni-II derivative (II). The double protonation of the ligand H(2)CDTA(2-) is carried out over different kinds of chelate rings, G and R, for Cu-II and Ni-II M(CDTA) derivatives, respectively (where G and R, indicate metal-glycinate rings nearly coplanar or perpendicular to the plane MNN, respectively).