1,1-Bis(6-cyano-2-pyridyl)-1-<(trimethylsilyl)oxy>ethane | 1026957-75-4

• 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: 1,1-Bis(6-cyano-2-pyridyl)-1-<(trimethylsilyl)oxy>ethane
• 英文别名: 6-[1-(6-Cyanopyridin-2-yl)-1-trimethylsilyloxyethyl]pyridine-2-carbonitrile
• CAS: 1026957-75-4
• 化学式: C₁₇H₁₈N₄OSi
• 分子量: 322.442
• InChiKey: VEORLJUYFVZDNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.33
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,1-Bis(6-cyano-2-pyridyl)-1-<(trimethylsilyl)oxy>ethane 在 sodium hydride 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 反应 0.5h， 生成 2,2-Bis(6-cyano-2-pyridyl)-3,5-dioxo-8-(3-picolinoxy)octane
  参考文献：
  名称：

  Synthesis and Coordination Properties of Pendant Arm Dipyridylmethane Derivatives

  摘要：

  Dipyridylmetane dicarboxylic acids with pendant arms containing pyridine groups were prepared. Cu(II) was shown to form square pyramidal complexes with the ligands. Depending on the structure of the pendant arm, the apical position was occupied either by a water molecule or by a pyridyl group from the same molecule or form a neighboring molecule. The reason for the different behavior of the ligands is suggested to be due to stereoelectronically induced conformational preferences of the ligands.

  DOI：

  10.1021/jo00087a012
• 作为产物：
  描述：

  1,1-di(2-pyridyl)ethanol 在 间氯过氧苯甲酸 、 二甲氨基甲酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 242.5h， 生成 1,1-Bis(6-cyano-2-pyridyl)-1-<(trimethylsilyl)oxy>ethane
  参考文献：
  名称：

  Synthesis and Coordination Properties of Pendant Arm Dipyridylmethane Derivatives

  摘要：

  Dipyridylmetane dicarboxylic acids with pendant arms containing pyridine groups were prepared. Cu(II) was shown to form square pyramidal complexes with the ligands. Depending on the structure of the pendant arm, the apical position was occupied either by a water molecule or by a pyridyl group from the same molecule or form a neighboring molecule. The reason for the different behavior of the ligands is suggested to be due to stereoelectronically induced conformational preferences of the ligands.

  DOI：

  10.1021/jo00087a012

文献信息

• Design, synthesis, and evaluation of nickel dipyridylmethane complexes for Coordination-Induced Spin State Switching (CISSS)
  作者：Michaela Klaß、Jan Krahmer、Christian Näther、Felix Tuczek

  DOI：10.1039/c7dt03952b

  日期：——

  to develop a new system capable of performing Ligand-Driven Coordination-Induced Spin State Switching (LD-CISSS), a new CISSS complex based on a nickel(II) dipyridylmethane framework was rationally designed, synthesized, and investigated both experimentally and theoretically. In DFT calculations, a dipyridylmethane dicarboxylic acid ligand was determined to be most suitable for this purpose. The corresponding

  为了开发能够执行配体驱动的配位诱导的自旋态转换（LD-CISSS）的新系统，合理设计，合成并基于实验和理论研究了基于镍（II）二吡啶基甲烷骨架的新型CISSS复合物。。在DFT计算中，确定二吡啶基甲烷二羧酸配体最适合该目的。相应的镍（Ⅱ通过优化程序合成了）配合物，并通过晶体学和Evans NMR磁化率测量证明了CISSS效应。在固态下，方形平面镍络合物是抗磁性的，八面体双吡啶加合物是顺磁性的。另外，获得了包含三个乙醇配体的二聚体。二聚体的形成也发生在溶液中。加入吡啶后，发生了从主要为反磁性到顺磁性的连续转变。吡啶结合的平衡常数以及相应的热力学参数表明对该配体具有高亲和力，表明该标题体系是LD-CISSS的合适候选者。
• Synthesis and Coordination Properties of Pendant Arm Dipyridylmethane Derivatives
  作者：Hans Adolfsson、Kenneth Waernmark、Christina Moberg

  DOI：10.1021/jo00087a012

  日期：1994.4

  Dipyridylmetane dicarboxylic acids with pendant arms containing pyridine groups were prepared. Cu(II) was shown to form square pyramidal complexes with the ligands. Depending on the structure of the pendant arm, the apical position was occupied either by a water molecule or by a pyridyl group from the same molecule or form a neighboring molecule. The reason for the different behavior of the ligands is suggested to be due to stereoelectronically induced conformational preferences of the ligands.