copper(II) bis(N,N-bis(2-hydroxyethyl)glycinate) | 77180-36-0

• 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
• 英文名称: copper(II) bis(N,N-bis(2-hydroxyethyl)glycinate)
• 英文别名: bis(N,N-bis(2-hydroxyethyl)glycinato)copper(II)；Cu(Bic)2；Copper;2-[bis(2-hydroxyethyl)amino]acetate
• CAS: 77180-36-0；921625-45-8；13978-30-8
• 化学式: C₁₂H₂₄CuN₂O₈
• 分子量: 387.877
• InChiKey: YOSVNVMKOLJHQZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.96
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  copper(II) bis(N,N-bis(2-hydroxyethyl)glycinate) 以 neat (no solvent) 为溶剂， 生成 copper(II) oxide
  参考文献：
  名称：

  CuO micro plates from a 3D metallo-organic framework (MOF) of a binary copper(II) complex of N,N-bis(2-hydroxyethyl)glycine

  摘要：

  The crystal structure of [Cu(Bic)(2)] (1) (Bic(-) = N,N-bis(2-hydroxyethyl)glycinate), was determined by single-crystal X-ray diffraction techniques. [Cu(Bic)(2)]: monoclinic system, space group P21/n. In the complex, the copper atom is tetra coordinated by two oxygen atoms of the carboxylato groups and two nitrogen atoms of the bicinate ligand, forming a distorted square planar coordination geometry. The molecular structure of the complex in solution is the same as that of the crystalline state, as supported by ESR and electronic spectra in solution. The blue complex 1 on heating at -500 degrees C for 6 h results in the formation of black CuO (Tenorite) micro plates. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.08.012
• 作为产物：
  描述：

  N,N-二羟乙基甘氨酸 、 copper hydroxide 以 neat (no solvent, solid phase) 为溶剂， 以99%的产率得到copper(II) bis(N,N-bis(2-hydroxyethyl)glycinate)
  参考文献：
  名称：

  CuO micro plates from a 3D metallo-organic framework (MOF) of a binary copper(II) complex of N,N-bis(2-hydroxyethyl)glycine

  摘要：

  The crystal structure of [Cu(Bic)(2)] (1) (Bic(-) = N,N-bis(2-hydroxyethyl)glycinate), was determined by single-crystal X-ray diffraction techniques. [Cu(Bic)(2)]: monoclinic system, space group P21/n. In the complex, the copper atom is tetra coordinated by two oxygen atoms of the carboxylato groups and two nitrogen atoms of the bicinate ligand, forming a distorted square planar coordination geometry. The molecular structure of the complex in solution is the same as that of the crystalline state, as supported by ESR and electronic spectra in solution. The blue complex 1 on heating at -500 degrees C for 6 h results in the formation of black CuO (Tenorite) micro plates. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.08.012

文献信息

• Comparative and biological studies of Cu2+ bicine and tricine chelates and their structures by single-crystal X-ray, DFT/B3LYP, and molecular docking studies
  作者：Mohsen M. Mostafa、Hamed M. El-Shora、Haitham K. Elemam、Waleed H. Al-Assy

  DOI：10.1016/j.molstruc.2023.134963

  日期：2023.5