(2,2'-C12H8O2)P(CH2CH2O)4OP(2,2'-O2C12H8) | 736139-21-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: (2,2'-C12H8O2)P(CH2CH2O)4OP(2,2'-O2C12H8)
• 英文别名: 2,2'-(C12H8O2)PO(CH2CH2O)4P(2,2'-O2H8C12)；6-[2-[2-[2-(2-Benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]benzo[d][1,3,2]benzodioxaphosphepine；6-[2-[2-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]benzo[d][1,3,2]benzodioxaphosphepine
• CAS: 736139-21-2
• 化学式: C₃₂H₃₂O₉P₂
• 分子量: 622.548
• InChiKey: GLAJOKAYJLOIEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  98.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (2,2'-C12H8O2)P(CH2CH2O)4OP(2,2'-O2C12H8) 、 [Ru^II(bpy)₂(OTf)₂] 以 二氯甲烷 为溶剂， 以92.2%的产率得到cis-[Ru(2,2'-bipyridine)2((2,2'-C12H8O2)P(CH2CH2O)4OP(2,2'-O2C12H8))](CF3SO3)2
  参考文献：
  名称：

  Synthesis, characterization and X-ray crystallography of a metallacrown ether complex containing a RuII(bpy)22+ chromophore and its Mo(CO)4 analog

  摘要：

  The chelating ligand (2,2'-Cl2H8O2)P(CH2CH2O)(4)P(2,2'-O2Cl2H8) reacts with both Ru(bPY)(2)(O3SCF3)(2) and MO(CO)(4)(C7H8) to form the new metallacrown ether complexes cis-[Ru(bPY)(2)((2,2'-C12H8O2)P(CH2CH2O)(4)P(2,2'-O2Cl2H8))](O3SCF3)(2) (1) and cis-[MO(CO)(4)((2,2'-C12H8O2)P(CH2CH2O)(4)P(2,2'-O2Cl2H8))] (2). The X-ray crystal structures for both complexes indicate that the metallacrown ether ring oxygen atoms point their lone pairs towards the cavity in the cis-metallacrown ether ring. The effect of interactions of the metallacrown ether complex with selected monoatomic cations (Li+, Na+ and Hg2+) on the emissive properties of the Ru(bPY)(2)(2+) chromophore were studied by steady-state and time-dependent emission spectroscopy. Our results suggest that complex 1 interacts weakly with Li+, Na+ and Hg2+, and subtle changes are observed in its photophysical properties. These changes are discussed in terms of excited-state parameters obtained from a Franck-Condon analysis of the emission spectra. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.04.004
• 作为产物：
  描述：

  三缩四乙二醇 、 6-chloro-dibenzo[d,f][1,3,2]-dioxaphosphepin 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以89.5%的产率得到(2,2'-C12H8O2)P(CH2CH2O)4OP(2,2'-O2C12H8)
  参考文献：
  名称：

  用于确定配位化合物平衡常数的NMR滴定方法：具有α，ω-双（亚磷酸酯）-聚醚配体的金属lac醚的合成和表征以及与Li +的平衡结合常数的测定

  摘要：

  合成了一种新的金属环醚，顺式-PdCl 2 {（2,2'-C 12 H 8 O 2）P（OCH 2 CH 2）4 OP（2,2'-O 2 H 8 C 12）}并通过NMR光谱学和X射线晶体学进行了全面表征。一种新的合成方法和完整的NMR表征，用于先前报道并密切相关的顺式-Mo（CO）4（2,2'-C 12 H 8 O 2）P（OCH 2 CH 2）4 OP（2,2'- Ò 2 ħ还报道了8 C 12）金属催眠醚。两种络合物均为单体，在溶液和固态下均显示出顺式配位几何，顺式-Mo（CO）4（2,2'-C 12 H 8 O 2）P（OCH 2 CH 2）4 OP（在HgCl 2的存在下，2,2'-O 2 H 8 C 12）金属催眠醚似乎未经历顺式-反式异构化。这些结果令人惊讶，因为密切相关的PdCl 2（Ph 2 P（CH 2 CH 2 O）n CH 2 CH 2 PPh 2）（ n = 3-

  DOI：

  10.1021/om200580t

文献信息

• Synthesis, characterization and X-ray crystallography of a metallacrown ether complex containing a RuII(bpy)22+ chromophore and its Mo(CO)4 analog
  作者：Jennifer M. Butler、Gary M. Gray、Juan Pablo Claude

  DOI：10.1016/j.poly.2004.04.004

  日期：2004.6

  The chelating ligand (2,2'-Cl2H8O2)P(CH2CH2O)(4)P(2,2'-O2Cl2H8) reacts with both Ru(bPY)(2)(O3SCF3)(2) and MO(CO)(4)(C7H8) to form the new metallacrown ether complexes cis-[Ru(bPY)(2)((2,2'-C12H8O2)P(CH2CH2O)(4)P(2,2'-O2Cl2H8))](O3SCF3)(2) (1) and cis-[MO(CO)(4)((2,2'-C12H8O2)P(CH2CH2O)(4)P(2,2'-O2Cl2H8))] (2). The X-ray crystal structures for both complexes indicate that the metallacrown ether ring oxygen atoms point their lone pairs towards the cavity in the cis-metallacrown ether ring. The effect of interactions of the metallacrown ether complex with selected monoatomic cations (Li+, Na+ and Hg2+) on the emissive properties of the Ru(bPY)(2)(2+) chromophore were studied by steady-state and time-dependent emission spectroscopy. Our results suggest that complex 1 interacts weakly with Li+, Na+ and Hg2+, and subtle changes are observed in its photophysical properties. These changes are discussed in terms of excited-state parameters obtained from a Franck-Condon analysis of the emission spectra. (C) 2004 Elsevier Ltd. All rights reserved.
• Generally Applicable NMR Titration Methods for the Determination of Equilibrium Constants for Coordination Complexes: Syntheses and Characterizations of Metallacrown Ethers with α,ω-Bis(phosphite)-polyether Ligands and Determination of Equilibrium Binding Constants to Li⁺
  作者：Justin T. Sheff、Aaron L. Lucius、Sam B. Owens、Gary M. Gray

  DOI：10.1021/om200580t

  日期：2011.11.14

  using 31P1H} NMR spectroscopy. A 31P1H} NMR continuous variation Job experiment of LiB(C6F5)4·2Et2O and cis-Mo(CO)4(2,2′-C12H8O2)P(OCH2CH2)4OP(2,2′-O2H8C12) indicates that the binding stoichiometry is 1:1. Accurate binding constants were determined by performing multiple 31P1H} NMR titrations at varying concentrations of cis-Mo(CO)4(2,2′-C12H8O2)P(OCH2CH2)4OP(2,2′-O2H8C12) using a binding density and

  合成了一种新的金属环醚，顺式-PdCl 2 （2,2'-C 12 H 8 O 2）P（OCH 2 CH 2）4 OP（2,2'-O 2 H 8 C 12）}并通过NMR光谱学和X射线晶体学进行了全面表征。一种新的合成方法和完整的NMR表征，用于先前报道并密切相关的顺式-Mo（CO）4（2,2'-C 12 H 8 O 2）P（OCH 2 CH 2）4 OP（2,2'- Ò 2 ħ还报道了8 C 12）金属催眠醚。两种络合物均为单体，在溶液和固态下均显示出顺式配位几何，顺式-Mo（CO）4（2,2'-C 12 H 8 O 2）P（OCH 2 CH 2）4 OP（在HgCl 2的存在下，2,2'-O 2 H 8 C 12）金属催眠醚似乎未经历顺式-反式异构化。这些结果令人惊讶，因为密切相关的PdCl 2（Ph 2 P（CH 2 CH 2 O）n CH 2 CH 2 PPh 2）（ n = 3-