tris(2-pyridyl)methyl ethyl ether | 81940-19-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tris(2-pyridyl)methyl ethyl ether
• 英文别名: tris(pyridin-2-yl)ethoxymethane；2-[Ethoxy(dipyridin-2-yl)methyl]pyridine
• CAS: 81940-19-4
• 化学式: C₁₈H₁₇N₃O
• 分子量: 291.352
• InChiKey: QTCTWLBOKOKIFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  47.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [Pt₂{(COMe)2H}2(μ-Cl)₂] 、 tris(2-pyridyl)methyl ethyl ether 在 base 作用下， 生成 [Pt(COMe)₂{tris(2-pyridyl)methyl ethyl ether}]
  参考文献：
  名称：

  Diacetylplatinum(II) Complexes with κ²-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution

  摘要：

  Reactions of the bis(benzylamine)platinum(II) complex [Pt(COMe)(2)(NH2Bn)(2)] (2; Bn = benzyl) with (2-py)(3)COR (2-py = 2-pyridyl), (2-py)(2)PhCOR, and (2-py)(2)(m-Tol)COR (m-Tol = 3-methylphenyl) afforded the neutral diacetylplatinum(II) complexes [Pt(COMe)(2){(2-py)(3)COR}] (R = H (3a), Me (3b), Et (3c), Bn (3d)), [Pt(COMe)(2){(2-py)(2)PhCOR}] (R = H (4a), Me (4b)), and [Pt(COMe)(2){(2-py)(2)(m-Tol)COR}] (R = H (5a) Me (5b)), respectively, having, due to a kappa(2) coordination of the ligands, a 2-pyridyl (3), a phenyl (4), or a m-tolyl (5) ring as the pendant group. The identities of all complexes were unambiguously proved by high-resolution mass spectrometric investigations and by NMR (H-1, C-13, Pt-195) and IR spectroscopy as well as by single-crystal X-ray diffraction analyses (3a-d). In methanol solution, complexes 3b-d and 5b show a dynamic behavior. The thermodynamic parameters of these dynamics have been determined by variable-temperature H-1 NMR measurements (Eyring plots). Furthermore, extensive DFT calculations will be presented, which indicate that the dynamics are caused by the interplay of hindered and respectively unhindered rotations of the substituent R and/or the pendant group.

  DOI：

  10.1021/om400091h
• 作为产物：
  描述：

  2-二吡啶基酮 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.17h， 生成 tris(2-pyridyl)methyl ethyl ether
  参考文献：
  名称：

  Diacetylplatinum(II) Complexes with κ²-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution

  摘要：

  Reactions of the bis(benzylamine)platinum(II) complex [Pt(COMe)(2)(NH2Bn)(2)] (2; Bn = benzyl) with (2-py)(3)COR (2-py = 2-pyridyl), (2-py)(2)PhCOR, and (2-py)(2)(m-Tol)COR (m-Tol = 3-methylphenyl) afforded the neutral diacetylplatinum(II) complexes [Pt(COMe)(2){(2-py)(3)COR}] (R = H (3a), Me (3b), Et (3c), Bn (3d)), [Pt(COMe)(2){(2-py)(2)PhCOR}] (R = H (4a), Me (4b)), and [Pt(COMe)(2){(2-py)(2)(m-Tol)COR}] (R = H (5a) Me (5b)), respectively, having, due to a kappa(2) coordination of the ligands, a 2-pyridyl (3), a phenyl (4), or a m-tolyl (5) ring as the pendant group. The identities of all complexes were unambiguously proved by high-resolution mass spectrometric investigations and by NMR (H-1, C-13, Pt-195) and IR spectroscopy as well as by single-crystal X-ray diffraction analyses (3a-d). In methanol solution, complexes 3b-d and 5b show a dynamic behavior. The thermodynamic parameters of these dynamics have been determined by variable-temperature H-1 NMR measurements (Eyring plots). Furthermore, extensive DFT calculations will be presented, which indicate that the dynamics are caused by the interplay of hindered and respectively unhindered rotations of the substituent R and/or the pendant group.

  DOI：

  10.1021/om400091h

文献信息

• Spin Crossover and High-Spin State in Fe(II) Anionic Polymorphs Based on Tripodal Ligands
  作者：Emmelyne Cuza、Cle Donacier Mekuimemba、Nathalie Cosquer、Françoise Conan、Sébastien Pillet、Guillaume Chastanet、Smail Triki

  DOI：10.1021/acs.inorgchem.1c00335

  日期：2021.5.3

  same anionic [Fe(py3C-OEt)(NCS)3]− complex (two units for 1 and one unit for 2) generated by coordination to the Fe(II) metal center of one tridentate py3C-OEt tripodal ligand and three terminal κN-SCN coligands. Magnetic studies revealed that polymorph 2 displays a high-spin (HS) state over the entire studied temperature range (300–10 K), while complex 1 exhibits an abrupt and complete spin crossover

  两个新的单核Fe（II）多晶型物[[（C 2 H 5）4 N] 2 [Fe（py 3 C-OEt）（NCS）3 ] 2（1）和[（C 2 H 5）4 N] [已合成Fe（py 3 C-OEt）（NCS）3 ]（2）（py 3 C-OEt =三（吡啶-2-基）乙氧基甲烷），并通过单晶X射线衍射，磁性和表征以及光磁测量，以及详细的可变温度红外光谱。两种配合物中的分子结构均由相同的阴离子[Fe（py 3C-OET）（NCS）3 ] -络合物（两个单元为1以及用于一个单元2通过配位到一个三齿吡啶中的Fe（II）金属中心产生）3 C-OET三足配体和三个端κ Ñ -SCN大肠菌。磁性研究表明，多晶型物2在整个研究温度范围（300–10 K）中显示出高自旋（HS）状态，而复合物1在大约20 ℃处表现出突然而完全的自旋交叉（SCO）跃迁。132.3 K（在295和100 K下进行的结构表征）显示出强烈的