[PdBr(C6H3(CH2SMe)2-2,6)] | 847949-58-0

• 英文名称: [PdBr(C6H3(CH2SMe)2-2,6)]
• CAS: 847949-58-0；1065473-18-8；1065473-20-2
• 化学式: C₁₀H₁₃BrPdS₂
• 分子量: 383.669
• InChiKey: SYALSFVRXFCJQD-UHFFFAOYSA-M

计算性质

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

反应信息

• 作为反应物：
  描述：

  盐酸 、 [PdBr(C6H3(CH2SMe)2-2,6)] 以 氯仿 为溶剂， 生成 [2,6-bis(methylthiomethyl)phenyl-S,C,S]palladium(II) chloride
  参考文献：
  名称：

  X-Ray and NMR Study of the Structural Features of SCS-Pincer Metal Complexes of the Group 10 Triad

  摘要：

  SCS-pincer metal complexes [MX(SCS)] (SCS = [2,6-(RSCH2)(2)C6H3](-); R = Ph: (SCS)-S-Ph; R = Me: (SCS)-S-Me; M = Pd, Pt, Ni) have been synthesized via mild and tolerant oxidative addition procedures. The complexes have been characterized by H-1 and C-13 NMR spectroscopy and X-ray crystal structure determination. Interestingly, the crystal structures of [NiBr((SCS)-S-Me)] 4, [PdBr((SCS)-S-Me)] 5, [PtBr((SCS)-S-Me)] 6, and [PtBr((SCS)-S-Ph)] 8 each have a unit cell with a unique set of independent [MBr((SCS)-S-R)] molecules; each of these structures has a different conformation of the five-membered ortho-chelate ring (including the configuration of the coordinated S-center) in the solid state. The temperature-dependent 1H NMR resonance patterns of these complexes in solution were related to structural features encountered in the solid state and allowed us to assign all dynamic processes (rac/meso isomerizations) that occurred in solution.

  DOI：

  10.1021/om800324w
• 作为产物：
  描述：

  tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 2,6-bis(methylthiomethyl)bromobenzene 以 苯 为溶剂， 以69%的产率得到[PdBr(C6H3(CH2SMe)2-2,6)]
  参考文献：
  名称：

  X-Ray and NMR Study of the Structural Features of SCS-Pincer Metal Complexes of the Group 10 Triad

  摘要：

  SCS-pincer metal complexes [MX(SCS)] (SCS = [2,6-(RSCH2)(2)C6H3](-); R = Ph: (SCS)-S-Ph; R = Me: (SCS)-S-Me; M = Pd, Pt, Ni) have been synthesized via mild and tolerant oxidative addition procedures. The complexes have been characterized by H-1 and C-13 NMR spectroscopy and X-ray crystal structure determination. Interestingly, the crystal structures of [NiBr((SCS)-S-Me)] 4, [PdBr((SCS)-S-Me)] 5, [PtBr((SCS)-S-Me)] 6, and [PtBr((SCS)-S-Ph)] 8 each have a unit cell with a unique set of independent [MBr((SCS)-S-R)] molecules; each of these structures has a different conformation of the five-membered ortho-chelate ring (including the configuration of the coordinated S-center) in the solid state. The temperature-dependent 1H NMR resonance patterns of these complexes in solution were related to structural features encountered in the solid state and allowed us to assign all dynamic processes (rac/meso isomerizations) that occurred in solution.

  DOI：

  10.1021/om800324w
• 作为试剂：
  描述：

  1-苯基-3-氯-1-丙炔 、 六甲基二锡 在 [PdBr(C6H3(CH2SMe)2-2,6)] 作用下， 以 四氢呋喃 为溶剂， 生成 3-phenyl-2-propyltrimethylstannane 、 3-phenyl-2-propyltrimethylstannane
  参考文献：
  名称：

  钯钳络合物催化甲硅烷基和甲硅烷基转移到丙炔基底物：合成范围和机制

  摘要：

  使用基于锡和硅的双金属试剂可以实现钳形配合物催化取代各种炔丙基底物，以获得炔丙基和烯丙基锡烷和硅烷。这些涉及氯化物、甲磺酸盐和环氧化物底物的反应可以在温和的条件下进行，因此可以耐受许多官能团（如 COOEt、OR、OH、NR 和 NAc）。结果表明，带有供电子配体的钳形催化剂，如 NCN、SCS 和 SeCSe 配合物，显示出最高的催化活性。具有吸电子取代基的仲炔丙基氯和伯炔丙基氯的催化取代以高区域选择性进行，提供了丙二烯基产物。炔丙基环氧化物的开环具有优异的立体选择性和区域选择性，得到立体确定的烯基锡烷。甲硅烷基锡烷作为双金属试剂进行独家甲硅烷基转移到炔丙基底物，提供具有高区域选择性的丙二烯基硅烷。根据我们的机理研究，反应的关键中间体是有机锡烷（或硅烷）配位的钳形配合物，它由双金属试剂和相应的钳形配合物催化剂形成。DFT 建模研究表明，三甲基甲锡烷基官能团在单个反应步骤中以高烯丙基选择性转移到炔丙基底物上。对

  DOI：

  10.1021/ja043951b

文献信息

• Sulfato-bridged ECE-pincer palladium(ii) complexes: structures in the solid-state and in solution, and catalytic properties
  作者：Cornelis A. Kruithof、Alexsandro Berger、Harmen P. Dijkstra、Fouad Soulimani、Tom Visser、Martin Lutz、Anthony L. Spek、Robertus J. M. Klein Gebbink、Gerard van Koten

  DOI：10.1039/b816936e

  日期：——

  solely neutral or as a mixture of neutral and ionic species, depending on the preparation and morphology of the solids. In water, ionic complexes with non-coordinating sulfate ions prevail. Preliminary studies of the catalytic activity of 2–4 in the Suzuki–Miyaura C–C cross-coupling reaction of 3-iodobenzoic acid and sodium tetraphenylborate in water reveal that the C–C cross-coupling product is efficiently

  ECE-钳子硫酸盐钯络合物（钳子= [C 6 H 3（CH 2 E）2 -2,6] - ; E = SPh（1），SMe（2），S t Bu（3），NMe 2（4））进行合成和表征。在固体状态（X射线检测）3和4形式存在中性ECE-钳形钯硫酸根合络合物与μ 2 - ø，ö '桥接硫酸根配体。 红外拉曼光谱研究和拉曼光谱研究表明，在固体状态下，取决于固体的制备和形态，络合物可以以中性形式存在，也可以以中性和离子性物质的混合物形式存在。在水，非配位的离子络合物 硫酸盐离子占优势。在Suzuki–Miyaura C–C交叉反应中2–4的催化活性的初步研究偶联反应 的 3-碘苯甲酸 和 四苯基硼酸钠 在 水 揭示了在室温下以良好的产率有效地形成了C-C交叉耦合产物。