| 1310473-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 1310473-85-8
• 化学式: C₁₆H₁₂LiN₃S₃
• 分子量: 349.43
• InChiKey: AMBJVJNISJFUMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  正丁基锂 、 tris(2-pyridylthio)methane 以 乙醚 、 正己烷 为溶剂， 反应 1.5h， 以68%的产率得到
  参考文献：
  名称：

  Structural characterization of tris(pyrazolyl)hydroborato and tris(2-pyridylthio)methyl lithium compounds: Lithium in uncommon trigonal pyramidal and trigonal monopyramidal coordination environments

  摘要：

  X-ray diffraction reveals that the molecular structures of the tris(pyrazolyl)hydroborato and tris(2-pyridylthio)methyl lithium compounds, [Tp(But,R)]Li (R = H, Me) and [kappa(4)-Tptm]Li, respectively exhibit three-coordinate trigonal pyramidal and four-coordinate trigonal monopyramidal coordination geometries, both of which are uncommon for lithium. Accordingly, [Tp(But)]Li and [Tp(But,Me)]Li bind additional ligands to form four-coordinate adducts, such as [Tp(But)]Li(NCMe), [Tp(But,Me)]Li(NCMe), [Tp(But)]Li(pz(But)H), [Tp(But,Me)]Li(pz(But)H)center dot(pz(But)H), [Tp(But,Me)]Li(OH2), [Tp(')(But)(Me)]Li(OH2)center dot(pzH) and [Tp(But)]Li(OH2)center dot(THF), each of which has been structurally characterized by X-ray diffraction in the solid state. In solution, however, dissociation of the ligand (L) from the adducts [Tp(But,R)]Li is facile such that the adducts exist in equilibrium with [Tp(')(But)(R)]Li and L, as demonstrated by NMR spectroscopic studies. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.008