| 1323387-14-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1323387-14-9
• 化学式: C₁₆H₂₀ClPSSi
• 分子量: 338.913
• InChiKey: IHRQYFGMFVEKDL-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  四(三苯基膦)钯 、 以 甲苯 为溶剂， 反应 4.0h， 以91%的产率得到diphenyl-sulfanylidene-(trimethylsilylmethyl)-λ5-phosphane;palladium(2+);triphenylphosphane;chloride
  参考文献：
  名称：

  Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity

  摘要：

  Cyclometalated palladium complexes have found a variety of applications, above all in homogeneous catalysis. Most complexes include mono-cyclometalated ligands, particularly systems with P- or N-donors. Herein, we report the preparation of a series of mono- and bis-cyclometalated palladium complexes with a silyl-substituted thiophosphinoyl ligand. The complexes have been synthesized via oxidative addition and dehydrohalogenation reactions. Thereby, dehydrohalogenation selectively results in the second cyclometalation and not in the formation of a carbene species. In the formed square-planar palladacycles the ligands exhibit S,C- and S,C,C-coordination modes, respectively. Depending on the silyl moiety, cyclometalation occurs via an aryl or even a methyl group, thus also giving way to unusual silapalladacyclobutanes with an open-book geometry. The complexes have been characterized in solution as well as in the solid state. Preliminary catalytic studies show that both the mono- and bis-cydometalated complexes can be applied as catalysts in C-C coupling reactions.

  DOI：

  10.1021/acs.organomet.5b00903
• 作为产物：
  描述：

  甲基二苯基膦硫化物 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 13.0h， 生成
  参考文献：
  名称：

  取代对Li / Cl类胡萝卜素形成T形钯碳和噻酮配合物的影响

  摘要：

  用Pd 0处理硫代磷酰基取代的Li / Cl类胡萝卜素制备钯硫酮和T形卡宾配合物报告了前体。根据空间需求，甲硅烷基部分的负离子稳定能力（通过负超共轭效应）和在羧基碳原子上剩余的负电荷，可以分离出三坐标的T形钯卡宾配合物。相反，不足的电荷稳定化导致硫代磷酰基部分的硫的转移并因此导致硫酮配合物的形成。尽管硫酮是稳定的化合物，但卡宾络合物显示出高反应性，并且在消除Pd金属后会分解。计算研究表明，两种复合物都是通过取代机制形成的。虽然发现酮是热力学上有利的产物，但是卡宾是动力学上有利的，因此优选在低反应温度下形成。

  DOI：

  10.1002/chem.201304927

文献信息

• Formation of a Palladium Thioketone Complex from a Thiophosphinoyl Stabilized Li/Cl Carbenoid
  作者：Viktoria H. Gessner

  DOI：10.1021/om200584h

  日期：2011.8.22

  An in situ generated thiophosphinoyl stabilized Li/Cl carbenoid reacts with Pd(PPh3)(4) with formation of a palladium thioketone complex. The presence of both the thiophosphinoyl and silyl groups as anion-stabilizing substituents is insufficient to stabilize the expected alkylidene complex and instead results in a rearrangement to the thioketone compound.