[μ-diphenylphosphinopropane]Au2(S2(p-C6H4OCH3)(O-c-C5H9))2 | 600688-68-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [μ-diphenylphosphinopropane]Au2(S2(p-C6H4OCH3)(O-c-C5H9))2
• 英文别名: cyclopentyloxy-(4-methoxyphenyl)-sulfanylidene-sulfido-λ5-phosphane;3-diphenylphosphanylpropyl(diphenyl)phosphane;gold(1+)
• CAS: 600688-68-4
• 化学式: C₅₁H₅₈Au₂O₄P₄S₄
• 分子量: 1381.11
• InChiKey: MXUJPPNXRARUOY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  11.91
• 重原子数：
  65
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [AuS2(p-C6H4OCH3)(O-c-C5H9)]2 、 1,3-双(二苯基膦)丙烷 以 二氯甲烷 为溶剂， 以76%的产率得到[μ-diphenylphosphinopropane]Au2(S2(p-C6H4OCH3)(O-c-C5H9))2
  参考文献：
  名称：

  Syntheses and Structures of Dinuclear Gold(I) Dithiophosphonate Complexes and the Reaction of the Dithiophosphonate Complexes with Phosphines:  Diverse Coordination Types

  摘要：

  The dinuclear gold(I) dithiophosphonate complex, [Au-2(dtp)(2)] (1), where dtp = [S2P(R)(OR')](-) with R = p-C6H4-OCH3; R' = c-C5H9, has been synthesized and its reaction studied with the phosphine ligands PPh3 and Ph2P(CH2)(n)-PPh2 (n = 1-4). Compound 1 contains two gold atoms homobridged by the anionic dithiophosphonate ligand, forming an eight-membered ring complex in a chair form. After the reaction of 1 with diphosphine ligands, the dinuclear open-ring complexes Au-2(dppm)(dtp)(2) (2), Au-2(dppe)(dtp)(2) (3), Au-2(dppp)(dtp)(2) (4), Au-2(dppb)(dtp)(2) (5) were formed (dppm = diphenylphosphinomethane; dppe = diphenylphosphinoethane; dppp = diphenylphosphinopropane; dppb = diphenylphosphinobutane). The reaction with dppm is stoichiometry-dependent. Thus, when 1 reacts with 2 equiv of dppm, the ionic complex [Au-2(dppm)(2)(dtp)]dtp forms. This dtp counterion was exchanged with tetrafluoroborate to yield [Au-2(dppm)(2)(dtp)]BF4, the crystallization of which afforded two interconvertible isomers, 6-yellow and 7-white. Reaction of 1 with PPh3 affords the tetracoordinate mononuclear complex [Au(dtp)(PPh3)(2)] (8). The molecular structures of 1-8 were confirmed by X-ray crystallography and show multiple coordination modes and geometries. The crystal structures of 1 and its reaction products with dppm (2, 6, 7) show short intramolecular Au...Au aurophilic bonding interactions of 2.95-3.10 Angstrom while no intermolecular interactions were discernible. However, reaction products of 1 with longer-chain Ph2P(CH2)(n)PPh2 ligands, n = 2-4, exhibit structures that lack both intra- and intermolecular Au...Au interactions.

  DOI：

  10.1021/ic034114y