2,6-(2-Ph2POC6H4)2C6H3I | 1093375-16-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-(2-Ph2POC6H4)2C6H3I
• 英文别名: [2-[3-(2-Diphenylphosphanyloxyphenyl)-2-iodophenyl]phenoxy]-diphenylphosphane
• CAS: 1093375-16-6
• 化学式: C₄₂H₃₁IO₂P₂
• 分子量: 756.559
• InChiKey: QUMUNCGULLZNCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  47
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tris(dibenzylideneacetone)dipalladium (0) 、 2,6-(2-Ph2POC6H4)2C6H3I 以 苯 为溶剂， 以79%的产率得到2,6-(2-Ph2POC6H4)2C6H3PdI
  参考文献：
  名称：

  m-Terphenyl Anchored Palladium Diphosphinite PCP-Pincer Complexes That Promote the Suzuki−Miyaura Reaction Under Mild Conditions

  摘要：

  Diphosphinite PCP-pincer pro-ligands anchored by a meta-terphenyl backbone were synthesized. These pro-ligands, [2,6-(2-Ph2POC6H4)(2)C6H3X] (3a X = 1, 3b X = Br) and [2,6-(2-(Pr2POC6H4)-Pr-i)(2)C6H3X] (4a X = 1, 4b X = Br) upon reaction with Pd-2(dba)(3) yield PCP palladium pincer complexes [2,6-(2Ph(2)POC(6)H(4))(2)C6H3PdX] (5a X = I, 5b X = Br) and [2,6-(2-(Pr2POC6H4)-Pr-i)(2)C6H3PdX] (6a X = 1, 6b X = Br). The structures of 5a-b and 6a-b were determined by single crystal X-ray diffraction analyses. Complexes 5b and 6b were evaluated for their efficacy in promoting catalytic Suzuki-Miyaura CC coupling reactions. A variety of aryl bromides efficiently underwent CC coupling reactions with p-tolylboronic acid with high yields in the presence of either 5b or 6b. Compound 6b also proved to be a very active pro-catalyst for the coupling of aryl chlorides with p-tolylboronic acid. Excellent to good yields (in some cases greater than 90%) were achieved even with electron rich or sterically hindered aryl chlorides.

  DOI：

  10.1021/om800626b