Pt(dippe)(C9H6NC(S)CHCHCH) | 1278472-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Pt(dippe)(C9H6NC(S)CHCHCH)
• 英文别名: 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;platinum(2+);(1Z)-1-quinolin-8-ylbuta-1,3-diene-1-thiolate
• CAS: 1278472-18-6
• 化学式: C₂₇H₄₁NP₂PtS
• 分子量: 668.723
• InChiKey: YQNHAAWZKBFABQ-XWILHGFGSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.69
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  13.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-(thiophen-2-yl)quinoline 、 di(hydrido(1,2-bis(diisopropylphosphino)ethane)platinum(I)) 以 苯 为溶剂， 以70%的产率得到Pt(dippe)(C9H6NC(S)CHCHCH)
  参考文献：
  名称：

  C−H and C−S Activations of Quinoline-Functionalized Thiophenes by Platinum Complexes

  摘要：

  We synthesized and characterized two ligands, 2-(quinolin-8-yl)thiophene (1a) and 3-(quinolin-8-yl)thiophene (1b). The selective C-H activation of the thiophene moieties was achieved by reacting 1a or, 1b and [Pt(CH3)(2)(SMe2)](2). We observed eta(2)-thiophene intermediates during the course of the reactions. The selective C-S bond activation of the thiophene moieties was observed after reacting 1a or 1b and [Pt(dippe)H](2). DFT calculations were performed to elucidate the regioselectivity of C-S activations.

  DOI：

  10.1021/om101171s