naphthylstannane | 1446024-58-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: naphthylstannane
• 英文别名: Naphthalen-1-ylstannane
• CAS: 1446024-58-3
• 化学式: C₁₀H₁₀Sn
• 分子量: 248.899
• InChiKey: FESVAOOCIVKZLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.83
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-naphthyltin trichloride 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 1.5h， 以75%的产率得到naphthylstannane
  参考文献：
  名称：

  Aryltin chlorides and hydrides: Preparation, detailed NMR studies and DFT calculations

  摘要：

  A series of novel tin chlorides RnSnCl4-n and respective hydrides RnSnH4-n were synthesized displaying a range of substituted phenyl residues, as well as naphthyl moieties (R = Ph, o-tolyl, 2,4-xylyl, 2,6-xylyl, p-biphenyl, 1-naphthyl, 2-naphthyl). These compounds were characterized using H-1, C-13 and Sn-119 NMR spectroscopy. In addition, X-ray diffraction was employed to elucidate the molecular structure of all solid aryltin chlorides (8-10, 14, 15). In each case, the tin is in a distorted tetrahedral environment. All naphthyl containing derivatives exhibit displaced pi-pi stacking. DFT calculations were carried out to compare experimental NMR data with calculated C-13 and Sn-119 shifts, as well as C-13-Sn-119 coupling constants. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.03.012