2-{4-[2-(diphenyl-phosphinoyl)-ethylsulfanyl]-phenyl}-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane | 798548-41-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-{4-[2-(diphenyl-phosphinoyl)-ethylsulfanyl]-phenyl}-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
• CAS: 798548-41-1
• 化学式: C₂₆H₃₀BO₃PS
• 分子量: 464.373
• InChiKey: CPEGJMWYLXKADQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.09
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-{4-[2-(diphenyl-phosphinoyl)-ethylsulfanyl]-phenyl}-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane 、 3,5-dibromo-4'-[2-(diphenyl-phosphinoyl)-ethoxy]-biphenyl 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 19.0h， 以30%的产率得到(((5'-(4-(2-(diphenylphosphoryl)ethoxy)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(sulfanediyl))bis(ethane-2,1-diyl))bis(diphenylphosphine oxide)
  参考文献：
  名称：

  Halide-Induced Supramolecular Ligand Rearrangement

  摘要：

  A novel reaction involving the halide-induced rearrangement of ligands within supramolecular Rh(I) complexes containing hemilabile ligands is presented. Three analogous bis- and trishemilabile ligands have been synthesized to construct bi- and trimetallic Rh(I) macrocyclic complexes. An intentionally added halide source results in the formal rotation of only one hemilabile ligand along the axis that is perpendicular to the plane defined by the aryl backbone of the hemilabile ligands. X-ray structures, as determined by X-ray crystallography, of key intermediates and products are presented.

  DOI：

  10.1021/ja045316b
• 作为产物：
  描述：

  频哪醇 在 正丁基锂 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 乙腈 、 正戊烷 为溶剂， 生成 2-{4-[2-(diphenyl-phosphinoyl)-ethylsulfanyl]-phenyl}-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
  参考文献：
  名称：

  Halide-Induced Supramolecular Ligand Rearrangement

  摘要：

  A novel reaction involving the halide-induced rearrangement of ligands within supramolecular Rh(I) complexes containing hemilabile ligands is presented. Three analogous bis- and trishemilabile ligands have been synthesized to construct bi- and trimetallic Rh(I) macrocyclic complexes. An intentionally added halide source results in the formal rotation of only one hemilabile ligand along the axis that is perpendicular to the plane defined by the aryl backbone of the hemilabile ligands. X-ray structures, as determined by X-ray crystallography, of key intermediates and products are presented.

  DOI：

  10.1021/ja045316b