bis[3-hydroxy-2-pyridinecarboxylic acid]copper | 528565-94-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: bis[3-hydroxy-2-pyridinecarboxylic acid]copper
• 英文别名: bis(3-hydroxypicolinate)copper(II)
• CAS: 528565-94-8
• 化学式: C₁₂H₈CuN₂O₆
• 分子量: 339.751
• InChiKey: LBDNOXDSRTZPLC-UHFFFAOYSA-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：

  3-甲基吡啶 、 bis[3-hydroxy-2-pyridinecarboxylic acid]copper 以 further solvent(s) 为溶剂， 以71%的产率得到trans-bis(3-hydroxypicolinate)bis(3-picoline)copper(II)
  参考文献：
  名称：

  Structural preferences and isomerism in nickel(II) and copper(II) complexes with 3-hydroxypicolinic acid

  摘要：

  Recrystallization of [Ni(3-OHpic)(2)(H2O)(2)] (1) from pyridine (py) affords trans-[Ni(3-OHpic)(2)(py)(2)] (2), while cis-[Ni(3-OHpic)(2)(4-pic)(2)] (3) is obtained from 4-picoline (4-pic). The nickel(II) ion is octahedrally coordinated by two N,O-bidentate 3-hydroxypicolinate ligands in both 2 and 3, and by two pyridine molecules in trans positions (2) or two 4-picoline molecules in cis positions (3). [Cu(3-OHpic)(2)] reacted with 4-picoline to yield the pentacoordinated species [Cu(3-OHpic)(2)(4-Pic)] (4), but in the presence of 3-picoline (3-pic) the octahedral trans-[Cu(3-OHpic)(2)(3-pic)(2)] (5), similar to 2, was isolated. The crystal structures of 2-5 exhibit strong intramolecular O-H center dot center dot center dot O hydrogen bonds, but the intermolecular interactions are weak (C-H center dot center dot center dot O hydrogen bonds, pi-pi and C-H center dot center dot center dot pi interactions). DFT calculations showed a preference for octahedral coordination for both the nickel(II) and copper(II) complexes, and a very small preference for a cis arrangement of the monodentate ligands, as observed in 2 and 5. The cooperative effect of weak intermolecular interactions should be responsible for reversing the preferences, but no major driving force could be identified. Calculated (DFT) and experimental IR spectra for 2-5 were compared and characteristic bands assigned. Thermogravimetric studies showed the initial loss of two coordinated pyridine, 4-picoline or 3-picoline molecules in 2, 3 and 5, respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.03.040
• 作为产物：
  描述：

  3-羟基-2-吡啶甲酸 、 copper(II) acetate monohydrate 在 (CH₃)4NOH 、 CH₃COOH 作用下， 以 水 为溶剂， 生成 bis[3-hydroxy-2-pyridinecarboxylic acid]copper
  参考文献：
  名称：

  铜 (II) 与 3-羟基吡啶甲酸 (HpicOH) 配合物的合成、表征和磁性能：[Cu(picOH)2(BPE)]2·[Cu(picOH)2(BPE)2]·8H2O 的晶体结构

  摘要：

  摘要 一种新型一维配位聚合物 [Cu(picOH) 2 (BPE)] ( IIa ) 和中性 [Cu(picOH) 2 (BPE) 2 ] ( IIb ) 配合物，可以在中性时同时分离（结构 II ）。 Cu(picOH) 2 ] (I) 物质被 1,2-双（4-吡啶基）乙烷 (BPE) 分子轴向桥接。该化合物已使用单晶 X 射线衍射、元素分析、红外和拉曼光谱以及热分析测量进行结构表征。在这两种结构中，3-羟基吡啶甲酸酯配体通过其典型的 N,O-螯合配位与 Cu 2+ 中心配位，随着 II 中配位数的增加，导致典型的 Jahn-Teller 扭曲八面体配位几何。虽然已经报道了 I 的结构，为了比较，我们重新确定了其在 180(2) K 低温下的单晶结构。还研究了这两种化合物的磁性。

  DOI：

  10.1016/j.molstruc.2004.10.035

文献信息

• 一种铜配合物
  申请人：合肥祥晨化工有限公司

  公开号：CN108467359A

  公开（公告）日：2018-08-31

  一种铜配合物，其化学式如下：该铜配合物的合成方法，包括合成和分离，所述的合成是称取0.2002g3‑羟基‑2‑吡啶羧酸放入100mL圆底烧瓶中，加入50mL无水甲醇并搅拌使其溶解；将0.1227g二水合氯化铜加入上述溶液，加热回流48h；反应结束后趁热过滤反应溶液，滤液自然挥发，数天后有晶体析出；该配合物在丙酮酸乙酯的亨利反应及苯甲醛的腈硅化反应中显示了较好的催化性能，其转化率分别达92％及99％。
• Supramolecular formation via hydrogen bonding in the Zn(II), Mn(II)and Cu(II) complexes with 3-hydroxypicolinic acid
  作者：Changyan Sun、Xiangjun Zheng、Linpei Jin

  DOI：10.1016/s0022-2860(02)00712-3

  日期：2003.2

  The three new complexes, [Zn(picoH)(2).2H(2)O] (1), [Mn(picoH)(2).2H(2)O] (2) and [Cu(picoH)(2)] (3) (HpicoH = 3-hydroxypicolinic acid) were synthesized as single crystals by the hydrothermal reactions and characterized by single crystal X-ray diffraction, elemental analysis and thermal analysis. The complexes 1 and 2 are isomorphous and have,rich hydrogen bonds formed by the coordinating water molecules with the carboxylate groups and the hydrogen atoms of the pyridine rings, respectively. The hydrogen bonds lead to the formation of supramolecules with three-dimensional network structures. In the crystal of the complex 3, the copper(II) ion is not only strongly coordinated by four atoms (N2O2) in a square-planar fashion, but also interacts weakly with other two oxygen atoms, forming a distorted octahedron. The coordination number of the copper(H) ion can be described as '4 + 2'. The weak Cu-O coordination bonds and hydrogen bonds in 3 bring the moieties into a supramolecule with three-dimensional network. (C) 2003 Elsevier Science B.V. All rights reserved.