1,2-bis-S-[2'-(diphenylphosphino)benzoyl]dithioethane | 691412-05-2

• 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: 1,2-bis-S-[2'-(diphenylphosphino)benzoyl]dithioethane
• 英文别名: S-[2-(2-diphenylphosphanylbenzoyl)sulfanylethyl] 2-diphenylphosphanylbenzenecarbothioate
• CAS: 691412-05-2
• 化学式: C₄₀H₃₂O₂P₂S₂
• 分子量: 670.772
• InChiKey: FSBBBYXTPYUOAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氟硼酸钠 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 氯仿 、 1,2-bis-S-[2'-(diphenylphosphino)benzoyl]dithioethane 以 氘代氯仿 为溶剂， 生成 [(RuCl(η6-cymene))2(1,2-bis-S-[2'-(diphenylphosphino)benzoyl]dithioethane)](BF4)2*4CHCl3
  参考文献：
  名称：

  New dinuclear arene ruthenium complexes with P,S- or P,O-chelating ligands

  摘要：

  Two equivalents of 2-diphenylphosphinobenzoic acid react with 1,2-ethanedithiol and 1,8-diaminonaphthalene under peptidic coupling conditions to give the new ligands 1,2-bis-S-[2'-(diphenylphosphino)benzoyl]dithioethane (dppte) (1) and 1,2-bis-N-[2'-(diphenylphosphino)benzoyl]diaminonaphthalene (dppan) (2), respectively. 1 and 2 have been characterised by mass spectrometry, elemental analysis, NMR, IR spectroscopy, and by single-crystal X-ray structure analysis. 2 is easily oxidised by air to give the monophosphine oxide derivatives (3). Single-crystal X-ray structure analysis of 3 shows an intramolecular hydrogen bond between an amido and the phosphoryl oxygen atom. Compounds 1 and 2 react with [RuCl2(eta(6)-p-cymene)](2) to give the dinuclear complexes [RuCl(eta(6)-p-cymene)(dppte)RuCl(eta(6)-p-cymene)](2+) (4) and [RuCl(eta(6)-p-cymene)(dppan)RuCl(eta(6)-p-cymene)](2+) (5). As determined by single-crystal X-ray structure analysis, 4 and 5 adopt different coordination modes to the ruthenium atoms. In 4 the symmetric dppte ligand is P, S coordinated to the ruthenium atom, whereas in 5 the dppan ligand prefers a P, O coordination mode. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.09.036