1,3-bis(propan-2-ylsulfanylmethyl)benzene-2-ide;chloropalladium(1+) | 874808-00-1

• 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: 1,3-bis(propan-2-ylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)
• CAS: 874808-00-1
• 化学式: C₁₄H₂₁ClPdS₂
• 分子量: 395.326
• InChiKey: OUSVGFKTTMXBLO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 、 1,3-bis(propan-2-ylsulfanylmethyl)benzene-2-ide;chloropalladium(1+) 以 CH₂Cl₂ 为溶剂， 以82%的产率得到[(η5-cyclopentadienyl)Ru(η6:η1-C6H3-2,6-(CH2S-i-Pr)2)PdCl](PF6)
  参考文献：
  名称：

  双金属η 6，η 1 SCS-和PCP-钳钌钯配合物：合成，结构和催化性能

  摘要：

  η的合成6，η 1 SCS-和PCP-钳形钌钯络合物[ 3 ] + - [ 6 ] +通过直接η 6的-coordination的[Ru（C 5 - [R 5）] +（R = H或Me）到η的芳烃环1 -palladated ECE-钳配体（E = S或P）进行说明。在所得到的杂双-有机金属络合物中，ECE-钳苯基阴离子的π-和σ-电子参与η 6 - ，η 1-分别与钌（II）和钯（II）配位。除了电化学数据表明两个金属中心都缺乏电子外，还可以通过X射线晶体学和溶液NMR光谱清楚地观察到空间效应。与SCS-钳形衍生物[ 3 ] +和[ 4 ] +，更换新的环戊二烯基的配体（配合物[ 3 ] +）由多种受阻五甲基环戊二烯配体（复合物[ 4 ] +）诱导一个硫原子的构型的反转在固态。平行地，对于[ 3 ] +观察到的硫配体构型的动态转化对于受阻较复杂的复合物[ 4 ] +，溶液中的蛋白质被冷冻

  DOI：

  10.1021/om900984t
• 作为产物：
  描述：

  sodium tetrachloropalladate(II) 、 1,3-bis(isopropylthiomethyl)benzene 在 NaO₂CCH₃ 作用下， 以 乙醇 为溶剂， 以72%的产率得到1,3-bis(propan-2-ylsulfanylmethyl)benzene-2-ide;chloropalladium(1+)
  参考文献：
  名称：

  pH-Dependent C−C Coupling Reactions Catalyzed by Water-Soluble Palladacyclic Aqua Catalysts in Water

  摘要：

  The series of water-soluble palladacyclic aqua complexes [('Bu-SCS)Pd-II(H2O)](+) ([1](+), 'Bu-SCS = C6H3-2,6-(CH2S'Bu)(2)), [(Pr-i-SCS)Pd-II(H2O)](+) ([2](+), Pr-i-SCS = C6H3-2,6-((CH2SPr)-Pr-i)(2)), [(PCP)Pd-II(H2O)](+) ([3](+), PCP = C6H3-2,6-((OPPr2)-Pr-i)(2)), and [(PC)Pd-II(H2O)(2)](+) ([4](+), PC = 4-MeC6H3-2-((OPPr2)-Pr-i)) have been synthesized from the reaction of the corresponding palladacyclic chloro complexes with silver salts in water to optimize the catalytic activity for pH-dependent C-C coupling reactions in water by changing the supporting ligands from S-supporting (SCS) to P-supporting (PCP) ligands and also from tridentate (PCP) to bidentate (PC) ligands. It was confirmed that there was no precipitation of palladium black L under the present reaction conditions. The PC palladacyclic aqua complex [4](+) exhibits the highest catalytic activity among the water-soluble palladacyclic aqua complexes [1](+)-[4](+) for the pH-dependent Suzuki-Miyaura, Mizoroki-Heck, and Stille coupling reactions in water. This is one of the highest catalytic activities ever reported for coupling reactions with water-soluble palladium catalysts in water. The catalytic ability of the palladacyclic aqua catalysts is drastically dependent on the pH of the solution and the structures of supporting ligands. The structures of palladacyclic aqua and chloro complexes were unequivocally determined by X-ray analysis.

  DOI：

  10.1021/om0503592