bis(L-alaninato)copper(II) | 43197-50-8

• 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: bis(L-alaninato)copper(II)
• 英文别名: [Cu(L-alanine)]_n；[Cu(Ala)]_n；L-alanine ; copper (II)-salt；L-Alanin; Kupfer(II)-Salz；cupric L-alaninate
• CAS: 43197-50-8
• 化学式: 2C₃H₆NO₂*Cu
• 分子量: 239.718
• InChiKey: SLUZRDYTDSOXEY-DKWTVANSSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.92
• 重原子数：
  7.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.15
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  bis(L-alaninato)copper(II) 在 formaldehyde 、 ammonia 作用下， 以 水 为溶剂， 生成 diaquabis(4-methyloxazolidine-4-carboxylato)copper(II)
  参考文献：
  名称：

  DL-和L-氨基酸的铜（II）配合物缩合反应的微分反应模式

  摘要：

  DL和L形式的丙氨酸，丝氨酸和苏氨酸的铜（Ⅱ）配合物与脂族醛的缩合反应表明双（氨基酸基）铜（Ⅱ）配合物具有不同的反应性。的反应物[Cu（DL-ALA）2 ]（其中ALA = alaninato阴离子）与甲醛和氨，以5的酸性pH值，得到含有产物的一个pentamethylenediaza基，[（α [R，α'小号） - ñ 3 N 7-（1,3,5,7-四氮杂双环[3.3.1]壬烷）二（2-甲基乙酰基）]铜（II）1，但在更高的pH条件（pH> 8.0）下，会产生已知的含恶唑烷基团的产品diaquabis（4-methyloxazolidine-4-carboxylato）-copper（II）2。然而，已知[Cu（L- ala）2 ]与甲醛和氨在pH 8.5下的反应产生的光学活性异构体为1，即。[（αS，α ′S）-N 3，N 7-（1,3,5,7-四氮杂双环-[3.3.1]壬烷）二（2-

  DOI：

  10.1039/dt9930003581
• 作为产物：
  描述：

  L-丙氨酸 在 basic copper carbonate 作用下， 以 水 为溶剂， 生成 bis(L-alaninato)copper(II)
  参考文献：
  名称：

  Cu（L-丙氨酸）2中的交换相互作用和磁性尺寸。

  摘要：

  A study of the magnetic properties of the copper (II) complex of the amino acid L-alanine [Cu(L-alanine)2] is reported. The susceptibility of a powder sample has been measured between 0.013 and 240 K. A linear-spin-chain model with antiferromagnetic exchange coupline J = -0.52 K fits well the susceptibility data above 0.3 K. Room-temperature electron paramagnetic resonance (EPR) spectra of single crystals of Cu(L-alanine)2 at 9 and 35 GHz show a single, exchange-narrowed resonance. The g tensor, with principal values g1 = 2.0554 +/- 0.0005, g2 = 2.1064 +/- 0.0005, and g3 = 2.2056 +/- 0.0005, reflects the crystal structure of Cu(L-alanine)2 and the electronic properties of the copper ions. The observed angular variation of the linewidth is attributed to the magnetic interactions, narrowed by the exchange coupling between copper ions, and shows a contribution characteristic of the dipole-dipole interaction in a spin system with a predominant two-dimensional spin dynamics. Considering the exchange-collapsed resonance corresponding to the two lattice sites for copper in Cu(L-alanine)2, we evaluate an exchange constant \J(AB1)\ = 0.47 K between nonequivalent copper neighbors in a spin chain, similar to the value obtained from the susceptibility data. The one-dimensional magnetic behavior suggested by the susceptibility data in Cu(L-alanine)2, where the metal ions are distributed in layers, is explained by proposing that carboxylate bridges provide electronic paths for superexchange interactions between coppers. Considering the characteristics of the molecular structure of Cu(L-alanine)2, the layers seem to be magnetically split off into one-dimensional zigzag ribbons. The apparent disagreement between the one-dimensional behavior suggested by the susceptibility data and the two-dimensional behavior of the spin dynamics suggested by the EPR linewidth is analyzed.

  DOI：

  10.1103/physrevb.43.1074

文献信息

• Synthesis, crystal structure and magneto-structural studies of 2D copper(II) coordination polymer containing l -alanine amino acid
  作者：Rahman Bikas、Behzad Soltani、Hamid Sheykhi、Maria Korabik、Moayad Hossaini-Sadr

  DOI：10.1016/j.molstruc.2018.05.016

  日期：2018.9

  Abstract A 2D coordination polymer of Cu(II) was synthesized by the reaction of CuCl2·2H2O with l -alanine and characterized by elemental analysis, spectroscopic methods and single crystal X-ray studies. X-ray analysis indicated that the compound is a 2D coordination polymer which the carboxylate group of amino acid ligands acts as bridging ligand between Cu(II) ions. The crystal structure of compound

  摘要 通过CuCl2·2H2O与l-丙氨酸的反应合成了Cu(II)的二维配位聚合物，并通过元素分析、光谱法和单晶X射线研究对其进行了表征。X射线分析表明，该化合物是一种二维配位聚合物，其氨基酸配体的羧酸根基团作为Cu(II)离子之间的桥接配体。化合物的晶体结构通过分子间氢键相互作用而稳定。粉末样品在 2 到 300 K 之间的磁化率数据根据 2D 自旋模型进行解释，通过 Syn-anti 羧酸桥具有弱反铁磁交换耦合，最近邻 Cu 之间的耦合常数 J = -0.2 cm-1 （二）离子。将结果与从其他铜氨基酸复合物的类似研究中获得的结果进行比较。DFT 研究表明，相邻 Cu(II) 离子的磁性 dx 2 - y 2 轨道与桥接羧酸根的分子轨道的重叠可以忽略不计，这使得它们之间只有弱的反铁磁相互作用。热重分析 (TGA) 表明该化合物在高达 240 °C 的温度下是稳定的，并在 800 °C 左右转化为
• The exchange interactions and magnetic behaviour of Cu(L-alanine)₂: specific heat measurements
  作者：R E Rapp、E P de Souza、H Godfrin、R Calvo

  DOI：10.1088/0953-8984/7/49/021

  日期：1995.12.4

  We report specific heat measurements in the temperature range 0.05 K

  我们报告了 0.05 K 温度范围内的比热测量值
• One-dimensional chiral copper (II) complexes with novel nano-structures and superior antitumor activity
  作者：Wei Chuan Zhang、Xue Tang、Xiaoming Lu

  DOI：10.1016/j.jinorgbio.2016.01.007

  日期：2016.3

  Three novel copper(II) compounds of formulas [Cu(Phen)(Ala)]·NO3·H2O}n (1), [Cu(Phen)(Ala)]·NO3}n (2) and [Cu(Ala)2]n (3) have been synthesized and determined by X-ray diffraction. 1 and 2 are shown in one dimensional long-chain chiral structures, and 3 is a two dimensional checkerboard-type structure. Both 1 and 2 displayed a higher anticancer activity than 3 against various cancer cells, even higher

  三种新型化学式为[Cu（Phen）（Ala）]·NO 3 ·H 2 O} n（1），[Cu（Phen）（Ala）]·NO 3 } n（2）的化合物和[Cu（Ala）2 ] n（3）已经合成并通过X射线衍射测定。图1和图2以一维长链手性结构示出，而图3是二维棋盘式结构。1和2对各种癌细胞均显示出比3更高的抗癌活性，甚至高于相似的单核复合物和临床抗癌药物5-氟尿嘧啶。非癌细胞系（CCC-HEL-1）已显示，复合物1-3几乎没有任何细胞毒性。研究了透射电子显微镜以显示两种配合物的纳米结构和π功能。配体1,10-菲咯啉插入其对映异构体前导复合物1稳定，并且链外的π-π相互作用使复合物2变得活跃，这容易裂解并堆积在一起。此外，UV的能隙
• High pressures studies on bis(L-alaninate)copper(II) by Raman spectroscopy and synchrotron X-ray diffraction
  作者：R.C. de Oliveira、A.J. Barros、G.A. Calligaris、W. Paraguassu、C.M.R. Remédios

  DOI：10.1016/j.saa.2024.124353

  日期：2024.8

  bis(L-alaninate)copper(II) [Cu(CHNO)] was studied by Raman spectroscopy and synchrotron X-ray diffraction as a function of hydrostatic pressure, and its vibrational and structural behavior were investigated to analyze its stability at high pressures. The Raman spectra of bis(L-alaninate)copper(II) show changes in vibrational modes that are associated with deformations and stretching of units involving

  通过拉曼光谱和同步加速器 X 射线衍射研究了双（L-丙氨酸）铜（II）[Cu（CHNO）]晶体作为静水压力的函数，并研究了其振动和结构行为，分析了其在高压。双(L-丙氨酸)铜(II) 的拉曼光谱显示与涉及铜原子的单元的变形和拉伸相关的振动模式的变化。这些结果表明，涉及铜原子的分子片段经历了旋转和键长的不连续性。从 Le Bail 拟合获得的双（L-丙氨酸）铜（II）的晶格参数也表现出与拉曼光谱相同的压力范围内的变化。角参数β的不连续性与分子片段的旋转相一致。双(L-丙氨酸)铜(II)发生变化，但在0-20.1 GPa范围内保持单斜对称性。
• Structural and vibrational studies of bis(l-alaninate)copper(II) crystal combined with density functional theory (DFT) calculations
  作者：R.C. de Oliveira、G.V.S. Mota、C.M.R. Remédios

  DOI：10.1016/j.ica.2024.121971

  日期：2024.5

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