sodium salt of di-2-pyridyl ketone oxime | 457062-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: sodium salt of di-2-pyridyl ketone oxime
• 英文别名: di-2-pyridyl ketone oxime sodium salt；sodium di-2-pyridylketone oximate；di(2-pyridyl)ketonoxime sodium salt
• CAS: 457062-70-3
• 化学式: C₁₁H₈N₃O*Na
• 分子量: 221.194
• InChiKey: KNXYMKUXJBDGHV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.18
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.2
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 sodium salt of di-2-pyridyl ketone oxime 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到[Cu2(di-2-pyridyl ketone oximato))4]*2H2O
  参考文献：
  名称：

  Di-2-pyridyl ketone oxime in copper chemistry: di-, tri-, penta- and hexanuclear complexes

  摘要：

  在铜化学中使用二-2-吡啶酮肟（Hpko）/X-"混合物"（X- = OH-、Cl-、ClO4-）已经产生了中性双核和阳离子三核、五核或六核配合物。通过各种合成程序，我们合成了[Cu5(pko)7]-[ClO4]3-2CH3OH-2H2O (1)、[Cu3(pko)3(OH)(Cl)]2[Ph4B]2-4DMF-2H2O (2)、[Cu2(pko)4] (3)、{[Cu6(pko)6ClO4(CH3CN)6][Cu6(pko)6(ClO4)3(CH3CN)4]}-8ClO4-14CH3CN-H2O (4)。这些配合物的结构是通过单晶 X 射线晶体学确定的。

  DOI：

  10.1039/b700902j

文献信息

• Metallacryptate Single-Molecule Magnets:  Effect of Lower Molecular Symmetry on Blocking Temperature
  作者：Curtis M. Zaleski、Ezra C. Depperman、Catherine Dendrinou-Samara、Maria Alexiou、Jeff W. Kampf、Dimitris P. Kessissoglou、Martin L. Kirk、Vincent L. Pecoraro

  DOI：10.1021/ja050951i

  日期：2005.9.1

  The structural characterization of complexes [(Mn4Mn22III)-Mn-II(pdol)(12)(OCH3)(12)(O)(16)(N-3)(6)] (1) and [Mn-4(II)-Mn-22(III)(pdol)(12)(OCH3)(12)(O)(16)(OH)(2)(H2O)(OCH3)(3)]center dot CIO4 center dot 5CH(3)OH (2), where pdol(2-) is di-2-pyridyl methanediol, reveals that each has a metallacryptand shell that encapsulates a manganese oxide core. Variable temperature direct current magnetic susceptibility measurements on 2 indicate a paramagnetic ground state that results from an overall antiferromagnetic interaction in the cluster, with chi T values decreasing from 300 K (51.2 cm(3) K mol(-1)) to 2 K (19.8 cm(3) K mol(-1)). Variable-temperature alternating current magnetic susceptibility measurements imply that both 1 and 2 behave as single-molecule magnets. Fitting the frequency-dependent out-of-phase magnetic susceptibility to the Arrhenius equation yields an effective energy barrier, U-eff, to magnetization relaxation of 16.5 +/- 0.7 K (11.5 +/- 0.5 cm(-1)) for 1 and 36.2 +/- 2.0 K (25.1 +/- 1.4 cm(-1)) for 2. The larger value for 2 is in agreement with the lower molecular symmetry, larger magnetoanisotropy, and higher ground spin state of 2 compared to those of 1. This observation suggests a new strategy for increasing the blocking temperatures in high-nuclearity manganese clusters.
• A Tetranuclear Mixed-Valent Mn$\rm{^{II}_{3}}$MnIV Compound with a (μ4-O)Mn4 Core This work was carried out in the frame of WG0010 of D21 COST action. The authors thank Prof. V. L. Pecoraro for his valuable suggestions. V.T. thanks Dr. Claudio Sangregorio and the Department of Chemistry, Florence, Italy for taking the magnetic measurements.
  作者：Tereza Afrati、Catherine Dendrinou-Samara、Catherine P. Raptopoulou、Aris Terzis、Vassilis Tangoulis、Dimitris P. Kessissoglou

  DOI：10.1002/1521-3773(20020617)41:12<2148::aid-anie2148>3.0.co;2-r

  日期：2002.6.17
• Synthesis and structure of : A new member of anion encapsulating metallamacrocyles
  作者：Tereza Afrati、Catherine Dendrinou-Samara、Curtis M. Zaleski、Jeff W. Kampf、Vincent L. Pecoraro、Dimitris P. Kessissoglou

  DOI：10.1016/j.inoche.2005.09.024

  日期：2005.12

  The reaction of copper(II) perchlorate with di-2-pyridyl ketone oxime yields the first 18-MC-6 complex with M-N-O connectivity, [Cu-6(pko)(6)ClO4(CH3CN)(6)] [Cu-6(pko)(6)(ClO4)(3)(CH3CN)(4)]- 8ClO(4) (.) 14CH(3)CN - H2O 1. In the solid state the cationic complex encapsulates a perchlorate anion within the central cavity. Magnetic susceptibility measurements reveal that the complex is diamagnetic. EPR measurements indicate that the complex dissociates in DMF. (c) 2005 Elsevier B.V. All rights reserved.