[CuCl(Sprop)]n | 1422271-33-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: [CuCl(Sprop)]n
• 英文别名: [CuCl(phenyl propargyl sulfide)]n
• CAS: 1422271-33-7
• 化学式: C₉H₈S*Cl*Cu
• 分子量: 247.228
• InChiKey: SKWUMPRAMIPLGL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.59
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  苯基丙炔基硫醚 、 copper(l) chloride 反应 168.0h， 以60%的产率得到[CuCl(Sprop)]n
  参考文献：
  名称：

  Toward absolute asymmetric synthesis of coordination polymers with bidentate sulfide ligands

  摘要：

  In search for sulfide-containing coordination polymers that crystallize as conglomerates, five new copper(I) complexes with prochiral sulfide ligands have been prepared and characterized by single crystal Xray structure determination. Three unsymmetrical sulfides have been used: phenyl propargyl sulfide (Sprop), allyl methyl sulfide (Sally), and 2,5-dithiahexane (SS). In [CuCl(Sprop)](n) (1), layers are formed via pi-coordination of propargyl groups to copper(I). In [Cu2Br2(Sprop)(4)] (2), discrete dimers form with non-coordinating propargyl groups. In [CuCl(Sally)](n) (3), layers are formed via pi-coordination of allyl groups to copper(I), but disordered Sally ligands are also found. The mesitylcopper complex [Cu-4(Mes)(4)(Sally)(2)] (4) is chiral but discrete. In [Cu-4(Mes)(4)(SS)](n) (5), racemic chains are formed by the SS ligand. Three out of five complexes prepared thus form coordination polymers, and all of the five complexes (1-5) exhibit terminal sulfide ligands that could be oxidized selectively when incorporated in an enantiopure polymer. Unfortunately none of 1-5 crystallized as a conglomerate, but whether this reflects an inherent tendency in this system is too early to say. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.10.035