trans-[(CH3C(O)S-4-C6H4C6H4)Pd(PPh3)2I] | 934273-47-9

• 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: trans-[(CH3C(O)S-4-C6H4C6H4)Pd(PPh3)2I]
• CAS: 934273-47-9
• 化学式: C₅₀H₄₁IOP₂PdS
• 分子量: 985.213
• InChiKey: XVGVRMNQEDXYAH-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：

  1,4-bis(4-pyridylethenyl)benzene 、 trans-[(CH3C(O)S-4-C6H4C6H4)Pd(PPh3)2I] 、 silver trifluoromethanesulfonate 以 not given 为溶剂， 以83%的产率得到trans-[((CH3C(O)S-4-C6H4C6H4)Pd(PPh3)2)(μ-C5H4NCH=CHC6H4CH=CHC5H4N)](OTf)2
  参考文献：
  名称：

  硫醇封端的一维铂钯配合物

  摘要：

  摘要 [(MeC(O)S 4-NCN)Pt ← NC C6H4 CN → Pt(NCN 4-SC(O)Me)]( OTf)2 (6, NCN = [C6H2(CH2NMe2-2,6)2]-) 和 (MeC(O)S 4-C6H4 C6H4)(Ph3P)2Pd ← C5H4N CH CH C6H4 CH CH C5H4N → Pd(PPh3) 2(C6H4 C6H4 4-SC(O)Me)](OTf)2 (9) 报道了其中金属碎片由 π 共轭有机连接单元跨越。

  DOI：

  10.1016/j.inoche.2005.10.036
• 作为产物：
  描述：

  4-iodo-4'-thioacetylbiphenyl 、 四(三苯基膦)钯 以 甲苯 为溶剂， 以85%的产率得到trans-[(CH3C(O)S-4-C6H4C6H4)Pd(PPh3)2I]
  参考文献：
  名称：

  Linear homobimetallic palladium complexes with end-capped SC(O)Me units

  摘要：

  Rigid-rod structured homobimetallic palladium complexes of type [{trans-( Me(O) CS-4-C6H4C6H4)( Ph3P)(2)Pd}(2)(mu-(NN)-N-boolean AND)](OTf)(2)(8a, mu-(NN)-N-boolean AND = 4,4'- bipyridine, bpy; 8b, mu-(NN)-N-boolean AND = C5H4N-CH=N-N= CH-C5H4N; 8c, mu-(NN)-N-boolean AND = C5H4N-CH=CH-C6H4-CH=CH-C5H4N; 8d, mu-(NN)-N-boolean AND = C5H4N-CH=N-C6H4-N=CHC5H4N) were synthesized by the reaction of trans-[(Me(O)CS-4-C6H4-C6H4)(Ph3P)(2)Pd](OTf) (6) with 0.5 equivalents of (NN)-N-boolean AND (7a, (NN)-N-boolean AND = bpy; 7b, (NN)-N-boolean AND = C5H4N-CH=N-N=CH-C5H4N; 7c, (NN)-N-boolean AND = C5H4N-CH=CHC6H4CH= CH-C5H4N; 7d, (NN)-N-boolean AND = C5H4N-CH=N-C6H4-N=CH-C5H4N) in high yield. Complex 6 was accessible by the subsequent reaction of [-4-C6H4-C6H4-4'-SC(O) Me (2) with [(PPh3)(4)Pd] (3) to produce trans-[(I)(Me(O)CS-4-C6H4-C6H4)(Ph3P)(2)Pd] (4) which further reacted with AgOTf (5) to give 6.The structures of 4 and 8c in the solid state are reported. Most characteristic for these systems is the square-planer coordination geometry of palladium with trans-positioned PPh3 groups. This automatically positions the iodo ligand and the Me(O)CS-4-C6H4-C6H4 unit (complex 4) or the nitrogen donor atoms of the C5H4N-CH=CH-C6H4-CH=CH-C5H4N connectivity and the thio-acetyl group Me(O)CS-C6H4-C6H4 (complex 8c) trans to each other. In 8c a Pd-Pd separation of 20.156 angstrom is typical.The electrochemical redox behavior of 2, 4 and 8 is discussed. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.09.031