HSCH2CO2CH2CH2O(1,5-C10H6)OCH2CH2CO2CH2SH | 477795-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: HSCH2CO2CH2CH2O(1,5-C10H6)OCH2CH2CO2CH2SH
• 英文别名: 1,5-C10H6(OCH2CH2O2CCHSH)2；2-[5-[2-(2-Sulfanylacetyl)oxyethoxy]naphthalen-1-yl]oxyethyl 2-sulfanylacetate；2-[5-[2-(2-sulfanylacetyl)oxyethoxy]naphthalen-1-yl]oxyethyl 2-sulfanylacetate
• CAS: 477795-20-3
• 化学式: C₁₈H₂₀O₆S₂
• 分子量: 396.485
• InChiKey: YUSSFSVECBXEOE-UHFFFAOYSA-N

物化性质

• 熔点：
  97-98 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  572.4±40.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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) 、 HSCH2CO2CH2CH2O(1,5-C10H6)OCH2CH2CO2CH2SH 、 silver trifluoroacetate 以 甲醇 、 二氯甲烷 为溶剂， 以57%的产率得到[1,5-C10H6(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

• Coordination polymers of gold(i) with dithiolate and diphosphine ligands
  作者：William J. Hunks、Michael C. Jennings、Richard J. Puddephatt

  DOI：10.1039/b204992a

  日期：2002.8.21

  The first neutral, hybrid organic–inorganic coordination polymers with linear gold(I) centres in the backbone have the formula [X(OCH2CH2O2CCH2SAu)2(μ-dppee)]n, X = 1,4-C6H4 or C10H6, dppee = trans-bis(diphenylphospino)ethylene, are easily formed by self-assembly during crystallization from macrocyclic isomers (n = 1), and form sheet structures anchored by secondary Au⋯S and S⋯S interactions in the solid state.

  第一种在骨架中含有线性金（I）中心的中性杂化有机-无机配位聚合物的化学式为 [X(OCH2CH2O2CCH2SAu)2(μ-dppee)]n，X = 1,4-C6H4 或 C10H6，dppee = 反式-双（二苯基磷）乙烯、在结晶过程中很容易从大环异构体（n = 1）自组装形成，并在固态中形成由次级 Au⋯S 和 S⋯S 相互作用锚定的片状结构。