4,4'-C6H4C6H4(OCH2CH2O2CCH2SH)2 | 909122-90-3

• 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: 4,4'-C6H4C6H4(OCH2CH2O2CCH2SH)2
• 英文别名: 2-[4-[4-[2-(2-Sulfanylacetyl)oxyethoxy]phenyl]phenoxy]ethyl 2-sulfanylacetate；2-[4-[4-[2-(2-sulfanylacetyl)oxyethoxy]phenyl]phenoxy]ethyl 2-sulfanylacetate
• CAS: 909122-90-3
• 化学式: C₂₀H₂₂O₆S₂
• 分子量: 422.523
• InChiKey: SKOQFWMTKRCFEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  73.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  二氯(DPPE)二金(I) 、 4,4'-C6H4C6H4(OCH2CH2O2CCH2SH)2 、 silver trifluoroacetate 以 甲醇 、 二氯甲烷 为溶剂， 以71%的产率得到[4,4'-C6H4C6H4(OCH2CH2O2CCHSAu)2(μ-Ph2P(CH2)2PPh2)]
  参考文献：
  名称：

  Polymeric and macrocyclic gold(I) complexes with bridging dithiolate and diphosphine ligands

  摘要：

  The reaction of digold(I) diphosphine complexes [Au-2(O2CCF3)(2)(mu-Ph2P-X-PPh2)] with dithiols HS-Y-SH can give either macrocyclic complexes [Au-2(mu-S-Y-S)(mu-Ph2P-X-PPh2)] or polymeric complexes [Au-2(mu-S-Y-S)(mu-Ph2P-X-PPh2)](n). The structures of the macrocyclic complex [Au-2{mu-(S-4-C6H4)(2)S} {mu-Ph2P(CH2)(4)PPh2}], and the polymeric complexes [Au-n{mu-(S-CH2CO2CH2CH2O)(2)-1,-4C(6)H(4)}(n)(mu-trans-Ph2PCH=CHPPh2)(n)] and [Au-n{mu-(S-CH2CO2CH2CH2O)(2)-1,5-C10H6}(n)(mu-trans-Ph2PCH=CHPPh2)(n)] have been determined. Evidence is presented that the complexes exist primarily as macrocycles in solution and that, in favorable cases, ring-opening polymerization occurs during crystallization. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.01.018

文献信息

• Polymeric and macrocyclic gold(I) complexes with bridging dithiolate and diphosphine ligands
  作者：William J. Hunks、Michael C. Jennings、Richard J. Puddephatt

  DOI：10.1016/j.ica.2006.01.018

  日期：2006.8

  The reaction of digold(I) diphosphine complexes [Au-2(O2CCF3)(2)(mu-Ph2P-X-PPh2)] with dithiols HS-Y-SH can give either macrocyclic complexes [Au-2(mu-S-Y-S)(mu-Ph2P-X-PPh2)] or polymeric complexes [Au-2(mu-S-Y-S)(mu-Ph2P-X-PPh2)](n). The structures of the macrocyclic complex [Au-2mu-(S-4-C6H4)(2)S} mu-Ph2P(CH2)(4)PPh2}], and the polymeric complexes [Au-nmu-(S-CH2CO2CH2CH2O)(2)-1,-4C(6)H(4)}(n)(mu-trans-Ph2PCH=CHPPh2)(n)] and [Au-nmu-(S-CH2CO2CH2CH2O)(2)-1,5-C10H6}(n)(mu-trans-Ph2PCH=CHPPh2)(n)] have been determined. Evidence is presented that the complexes exist primarily as macrocycles in solution and that, in favorable cases, ring-opening polymerization occurs during crystallization. (c) 2006 Elsevier B.V. All rights reserved.