2,9-bis[p-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-1,10-phenanthroline | 321697-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,9-bis[p-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-1,10-phenanthroline
• 英文别名: 2,9-bis(4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl)-1,10-phenanthroline；2,9-Bis[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-1,10-phenanthroline
• CAS: 321697-17-0
• 化学式: C₃₆H₃₆N₂O₄
• 分子量: 560.693
• InChiKey: FNISCLWVNCHZFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  715.1±60.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,9-bis[p-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-1,10-phenanthroline 在 盐酸 、 水 作用下， 以 四氢呋喃 、 氯仿 、 乙腈 为溶剂， 反应 48.5h， 生成 Cu(I)-bis[4,4'-(1,10-phenanthroline-2,9-diyl)dibenzaldehyde] tetrafluoroborate
  参考文献：
  名称：

  COVALENT ORGANIC FRAMEWORKS WITH A WOVEN STRUCTURE

  摘要：

  本公开提供了由多根长有机线构成的共价有机框架（COFs）。具体而言，本公开提供了编织COFS的构造，其中长有机链通过使用有机配体/复合物以编织图案连接在一起，当在特定几何方向上定向时，能够可逆地结合金属离子。

  公开号：

  US20180319821A1
• 作为产物：
  描述：

  1,10-菲罗啉 、 1,3-二噁烷,2-(4-溴苯基)-5,5-二甲基- 在 叔丁基锂 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以47%的产率得到2,9-bis[p-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-1,10-phenanthroline
  参考文献：
  名称：

  Multiporphyrinic Rotaxanes: Control of Intramolecular Electron Transfer Rate by Steering the Mutual Arrangement of the Chromophores

  摘要：

  A [2]-rotaxane Zn-2-Au+ made from a dumbbell component ended by Zn(II) porphyrin stoppers and a ring component incorporating a Au(III) porphyrin has been assembled in 13% yield using the transition metal templating route. H-1 NMR studies show that its:conformation in solution is very different from those of its complexes with Cu+, Ag+, and Li+. In particular, removal of the templating metal resulted in a changeover of the molecule, the threaded macrocycle undergoing a pirouetting motion placing the Au(III) porphyrin in the deft formed by the two Zn(II) porphyrin stoppers. At room temperature, the changeover could be either complete or partial, depending on the solvent used. Photoinduced electron transfer from one of the Zn(II) porphyrins to the Au(III) porphyrin of the macrocycle was evidenced in the case of the free rotaxane and its Cu(I) complex, Zn2Cu+Au+. In the former case, the photoinduced electron transfer process could be clearly resolved for an extended conformation that is characterized by the Zn(II) porphyrins pointing far from the Au(III) porphyrin electron acceptor, and accounting for 30% of the total in acetonitrile at room temperature. In both Zn2Cu+Au+ and Zn-2-Au+ rotaxanes, the charge-separated state, in which the Zn(II) porphyrin is a cation radical and the Au(III) porphyrin a neutral radical, was generated at a rate of 5 x 10(9) s(-1) and disappeared at a rate of 2 x 10(8) s(-1). In the case of Zn2Cu+Au+, the primary step is very Likely energy transfer from the Zn(II) porphyrin singlet excited state to the MLCT state of the central Cu(I) complex, followed by an electron transfer from the excited Cu(I) unit to the Au(III) porphyrin and a successive charge shift from the Zn(ll) porphyrin to the oxidized Cu(Ll) complex. [2]-rotaxane Zn-2-Au+, in which no bond pathway can be identified between the donor and the, acceptor, is a typical case of electron transfer involving molecular fragments connected by mechanical bonds.

  DOI：

  10.1021/ja002018f

文献信息

• Covalent organic frameworks with a woven structure
  申请人：The Regents of the University of California

  公开号：US10597408B2

  公开（公告）日：2020-03-24

  The disclosure provides for covalent organic frameworks (COFs) that constructed from weaving a plurality of long organic threads together. In particular, the disclosure provides for the construction of woven COFS, where long organic strands are connected together in a woven pattern using organic ligands/complexes that when orientated in certain geometries are capable of reversibly binding metal ions.

  本公开提供的共价有机框架（COF）是由多根长有机线编织而成的。特别是，本发明提供了编织型 COFS 的构建方法，利用有机配体/络合物以编织模式将长有机链连接在一起，当这些有机配体/络合物以特定几何形状定向时，能够可逆地结合金属离子。