Cu(N,N,N',N'',N''-pentamethyldiethylenetriamine)(2-thiophenecarboxylate)(H2O)(ClO4) | 1003017-12-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cu(N,N,N',N'',N''-pentamethyldiethylenetriamine)(2-thiophenecarboxylate)(H2O)(ClO4)
• 英文别名: Cu(Me5dien)(2-tpca)(H2O)(ClO4)
• CAS: 1003017-12-6
• 化学式: C₁₄H₂₈CuN₃O₃S*ClO₄
• 分子量: 481.457
• InChiKey: AXRSPCVDKKFHTK-UHFFFAOYSA-L

物化性质

• 熔点：
  215 °C (decomp)

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

• 作为产物：
  描述：

  2-噻吩甲酸 、 [Cu(N,N,N′,N′′,N′′-pentamethyl-diethylenetriamine)](ClO₄)₂ 在 NaOH 作用下， 以 甲醇 、 水 为溶剂， 以68.9%的产率得到Cu(N,N,N',N'',N''-pentamethyldiethylenetriamine)(2-thiophenecarboxylate)(H2O)(ClO4)
  参考文献：
  名称：

  Mixed-ligand CuII complexes with Me5dien and heterocyclic acids. Synthesis, antioxidant and anti-inflammatory activity. Crystal structure of [Cu(Me5dien)(tpaa)(H2O)](ClO4)

  摘要：

  The reaction of sodium salt of 2-thiophenecarboxylic acid (tpca), 2-thiopheneacetic acid (tpaa), 2-furoic acid (fa) and picolinic acid (pica), with [Cu(Me(5)dien)(ClO4)(2)] (1) (Me(5)dien = N, N, N', N" N"-pentamethyldiethylenetriamine) in a 1: 1 molar ratio, afforded new mixed-ligand compounds of the type [Cu(Me(5)dien)(tpca)(H2O)](ClO4) (2), [Cu(Me(5)dien)(tpaa)(H2O)](ClO4) (3), [Cu(Me(5)dien) (fa)](BPh4) (4) and [Cu(Me(5)dien)(pica)](ClO4) (5). The new mixed-ligand complexes are mononuclear, paramagnetic, conductive compounds with a distorted square pyramidal geometry. The square pyramidal stereochemistry proposed by spectroscopic (IR, UV-vis) data was further confirmed by the X-ray structure analysis of the compound (3) in which the Cu atom is coordinated by the three N atoms from the Me(5)clien ligand, one O atom from the mono-carboxylate anion, lying on the equatorial square plane, and one O atom from the water molecule, occupying the axial position. The two Cu-O bond distances are 1.955(2) and 2.212(2) angstrom, respectively. The complexes were tested for antioxidant/anti-inflammatory activity. Complex 4 is the most active against soybean lipoxygenase with IC50 = 100 mu M. The presence of a furoic ring leads to higher lipoxygenase inhibition, whereas the picolinyl-ring supports scavenging activity. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.02.021