2-bis(pm)Ope | 1334238-62-8

• 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: 2-bis(pm)Ope
• 英文别名: ethyl bis(pyridin-2-ylmethyl)phosphate；2-[[Ethoxy-oxido-(pyridin-2-ylmethoxy)phosphaniumyl]oxymethyl]pyridine；2-[[ethoxy-oxido-(pyridin-2-ylmethoxy)phosphaniumyl]oxymethyl]pyridine
• CAS: 1334238-62-8
• 化学式: C₁₄H₁₇N₂O₄P
• 分子量: 308.274
• InChiKey: KSLCSKSERIHOQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 2-bis(pm)Ope 以 乙醇 为溶剂， 以66%的产率得到dichloro(ethyl bis(pyridin-2-ylmethyl)phosphate)copper(II)
  参考文献：
  名称：

  Coordination properties of ethyl bis(pyridin-2-ylmethyl)phosphate ligand with copper and zinc chloride. X-ray crystal structure of Cu(II) complex

  摘要：

  A new ethyl bis(pyridin-2-ylmethyl)phosphate (2-bis(pm)Ope) ligand has been synthesized and used for synthesis of copper(II) and zinc(II) complexes of the formula [MCl2(2-bis(pm)Ope)] [M = Cu(II), Zn(II)]. Despite having the same general formula, Cu(II) and Zn(II) complexes are not isostructural. The Zn(II) complex is four coordinated (MCl2N2) forming probably tetrahedral structure whereas the Cu(II) complex of distorted square pyramidal geometry is five coordinated (MCl2ON2). The later compound not only coordinates by two nitrogen atoms of pyridine rings but also by the oxygen atom of pyridin-2-ylmethoxyl residue. The compound (2-bis(pm) Ope) has been obtained as the product of diethyl (pyridin-2ylmethyl)phosphate's (2-pmOpe) transestrification. The compounds have been identified and characterized by IR, far-IR, H-1 NMR, P-31 NMR and elemental analyses. The crystal structure of copper(II) complex i.e. [CuCl2(2-bis(pm)Ope)] has been determined by the X-ray diffraction method. The low temperature magnetic study reveals significant antiferromagnetic interaction between copper centers through the H-bond system. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.05.022
• 作为产物：
  描述：

  2-吡啶甲醇 、 氯磷酸二乙酯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以20%的产率得到2-bis(pm)Ope
  参考文献：
  名称：

  Coordination properties of ethyl bis(pyridin-2-ylmethyl)phosphate ligand with copper and zinc chloride. X-ray crystal structure of Cu(II) complex

  摘要：

  A new ethyl bis(pyridin-2-ylmethyl)phosphate (2-bis(pm)Ope) ligand has been synthesized and used for synthesis of copper(II) and zinc(II) complexes of the formula [MCl2(2-bis(pm)Ope)] [M = Cu(II), Zn(II)]. Despite having the same general formula, Cu(II) and Zn(II) complexes are not isostructural. The Zn(II) complex is four coordinated (MCl2N2) forming probably tetrahedral structure whereas the Cu(II) complex of distorted square pyramidal geometry is five coordinated (MCl2ON2). The later compound not only coordinates by two nitrogen atoms of pyridine rings but also by the oxygen atom of pyridin-2-ylmethoxyl residue. The compound (2-bis(pm) Ope) has been obtained as the product of diethyl (pyridin-2ylmethyl)phosphate's (2-pmOpe) transestrification. The compounds have been identified and characterized by IR, far-IR, H-1 NMR, P-31 NMR and elemental analyses. The crystal structure of copper(II) complex i.e. [CuCl2(2-bis(pm)Ope)] has been determined by the X-ray diffraction method. The low temperature magnetic study reveals significant antiferromagnetic interaction between copper centers through the H-bond system. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.05.022

文献信息

• Coordination properties of ethyl bis(pyridin-2-ylmethyl)phosphate ligand with copper and zinc chloride. X-ray crystal structure of Cu(II) complex
  作者：Urszula Kalinowska-Lis、Bogumiła Żurowska、Katarzyna Ślepokura、Justyn Ochocki

  DOI：10.1016/j.ica.2011.05.022

  日期：2011.10

  A new ethyl bis(pyridin-2-ylmethyl)phosphate (2-bis(pm)Ope) ligand has been synthesized and used for synthesis of copper(II) and zinc(II) complexes of the formula [MCl2(2-bis(pm)Ope)] [M = Cu(II), Zn(II)]. Despite having the same general formula, Cu(II) and Zn(II) complexes are not isostructural. The Zn(II) complex is four coordinated (MCl2N2) forming probably tetrahedral structure whereas the Cu(II) complex of distorted square pyramidal geometry is five coordinated (MCl2ON2). The later compound not only coordinates by two nitrogen atoms of pyridine rings but also by the oxygen atom of pyridin-2-ylmethoxyl residue. The compound (2-bis(pm) Ope) has been obtained as the product of diethyl (pyridin-2ylmethyl)phosphate's (2-pmOpe) transestrification. The compounds have been identified and characterized by IR, far-IR, H-1 NMR, P-31 NMR and elemental analyses. The crystal structure of copper(II) complex i.e. [CuCl2(2-bis(pm)Ope)] has been determined by the X-ray diffraction method. The low temperature magnetic study reveals significant antiferromagnetic interaction between copper centers through the H-bond system. (C) 2011 Elsevier B. V. All rights reserved.