| 1443037-58-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1443037-58-8
• 化学式: C₉₈H₁₄₆OP₄
• 分子量: 1464.13
• InChiKey: QUZFAATUFBRSFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.5
• 重原子数：
  103
• 可旋转键数：
  24
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  bis<3-(bromomethyl)phenyl> ether 、 2-(2,4,6-tri-tert-butylphenyl)phosphaacetylene 在 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.17h， 以75%的产率得到
  参考文献：
  名称：

  Through-space Electrostatic Interaction between the Electron-donating 1,3-Diphosphacyclobutane-2,4-diyl Units

  摘要：

  Catenation of stable 1,3-diphopsphacyclobutane-2,4-diyl units with biphenyl-, diphenyl ether-, and diphenylmethane-based bridging groups were utilized for evaluation of the distinct through-space interaction between the electron-donating P-heterocyclic biradical chromophores. Structural properties of the oligo(biradicals), characterized by X-ray crystallography and DFT calculation, suggest a possible distance between the biradical units for the through-space interaction.

  DOI：

  10.1021/ol401456h

文献信息

• Through-space Electrostatic Interaction between the Electron-donating 1,3-Diphosphacyclobutane-2,4-diyl Units
  作者：Shigekazu Ito、Makoto Kobayashi、Koichi Mikami

  DOI：10.1021/ol401456h

  日期：2013.7.5

  Catenation of stable 1,3-diphopsphacyclobutane-2,4-diyl units with biphenyl-, diphenyl ether-, and diphenylmethane-based bridging groups were utilized for evaluation of the distinct through-space interaction between the electron-donating P-heterocyclic biradical chromophores. Structural properties of the oligo(biradicals), characterized by X-ray crystallography and DFT calculation, suggest a possible distance between the biradical units for the through-space interaction.