3,5-bis((4-fluorophenylthio)methyl)-1H-pyrazole | 1357067-07-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3,5-bis((4-fluorophenylthio)methyl)-1H-pyrazole
• 英文别名: 3,5-bis[(4-fluorophenyl)sulfanylmethyl]-1H-pyrazole
• CAS: 1357067-07-2
• 化学式: C₁₇H₁₄F₂N₂S₂
• 分子量: 348.44
• InChiKey: ULLHOTOHPAWQBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,5-bis((4-fluorophenylthio)methyl)-1H-pyrazole 、 silver(l) oxide 以 not given 为溶剂， 生成 [Ag(μ-C3HN2(CH2SC6H4F)2)]3
  参考文献：
  名称：

  A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions

  摘要：

  When pyrazolate ligands with thioether chelate arms are used in cyclic coinage metal pyrazolates [Au(mu-pz)]IV, the inner gold ring can be framed with an outer silver ring to give novel heterometallic double-crowned complexes [AuAg(mu-L-x) (BF4)](4). They feature short intramolecular in-plane Ag-Au interactions, are stable as octanuclear species in solution, and show promising luminescence properties.

  DOI：

  10.1021/ja211549e
• 作为产物：
  描述：

  在 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以3.17 g的产率得到3,5-bis((4-fluorophenylthio)methyl)-1H-pyrazole
  参考文献：
  名称：

  A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions

  摘要：

  When pyrazolate ligands with thioether chelate arms are used in cyclic coinage metal pyrazolates [Au(mu-pz)]IV, the inner gold ring can be framed with an outer silver ring to give novel heterometallic double-crowned complexes [AuAg(mu-L-x) (BF4)](4). They feature short intramolecular in-plane Ag-Au interactions, are stable as octanuclear species in solution, and show promising luminescence properties.

  DOI：

  10.1021/ja211549e

文献信息

• A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions
  作者：Ann Christin Jahnke、Kevin Pröpper、Catherine Bronner、Jörg Teichgräber、Sebastian Dechert、Michael John、Oliver S. Wenger、Franc Meyer

  DOI：10.1021/ja211549e

  日期：2012.2.15

  When pyrazolate ligands with thioether chelate arms are used in cyclic coinage metal pyrazolates [Au(mu-pz)]IV, the inner gold ring can be framed with an outer silver ring to give novel heterometallic double-crowned complexes [AuAg(mu-L-x) (BF4)](4). They feature short intramolecular in-plane Ag-Au interactions, are stable as octanuclear species in solution, and show promising luminescence properties.