Sn(1-naphthyl)4 | 5424-36-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Sn(1-naphthyl)4
• 英文别名: 1-naphthyl₄Sn；tetra-[1]naphthyl stannane；Tetra-[1]naphthyl-stannan
• CAS: 5424-36-2
• 化学式: C₄₀H₂₈Sn
• 分子量: 627.372
• InChiKey: RLYMBBPMAOFSFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.68
• 重原子数：
  41
• 可旋转键数：
  4
• 环数：
  8.0
• 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

安全信息

• 海关编码：
  2931900090

反应信息

• 作为反应物：
  描述：

  Sn(1-naphthyl)4 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 4.08h， 生成 (1-C10H7)2SnH2
  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
• 作为产物：
  描述：

  naphthalen-1-yl-lithium 在 四氯化锡 作用下， 生成 Sn(1-naphthyl)4
  参考文献：
  名称：

  Baehr; Gelius, Chemische Berichte, 1958, vol. 91, p. 812,813

  摘要：

  DOI：

文献信息

• Stabilizing, non-covalent interactions in the solid state structure of novel aryltin hydrides and halogenides
  作者：Cathrin Zeppek、Roland C. Fischer、Ana Torvisco、Frank Uhlig

  DOI：10.1139/cjc-2013-0503

  日期：2014.6

  A group of novel aryltin chlorides, bromides and hydrides (Ar_nSnY_4-n) (Ar = o-tolyl, 2,6-xylyl, 1-naphthyl, 2-naphthyl, p-n-butylphenyl; Y = Cl, Br, H) have been synthesized and structurally characterized via X-ray diffraction. These compounds display noncovalent intermolecular interactions in the form of edge to face, π–π stacking and C–H···π interactions resulting in discrete arrangements in the solid state. The strength of these interactions and their effect on resulting structural parameters, as well as the consequence of the aromatic substituent on the type of interactions present, will be highlighted and discussed.

  一组新型的芳基锡氯化物、溴化物和氢化物（Ar_nSnY_4-n）（Ar = 邻甲苯基、2,6-二甲苯基、1-萘基、2-萘基、对正丁基苯基；Y = Cl、Br、H）已经通过X射线衍射合成并结构表征。这些化合物在固态中显示出非共价的分子间相互作用，如边对面、π-π堆积和C-H···π相互作用，导致固态中的离散排列。这些相互作用的强度及其对结果结构参数的影响，以及芳基取代基对存在的相互作用类型的影响将被强调和讨论。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Verb.1, 1.1.1.16.6, page 169 - 176
  作者：

  DOI：——

  日期：——
• Baehr. G.; Gelius, R., Chemische Berichte, 1958, vol. 91, p. 818 - 824
  作者：Baehr. G.、Gelius, R.

  DOI：——

  日期：——
• Pikina, J. I.; Talalaeva, T. V.; Kocheshkov, K. A., Zhurnal Obshchei Khimii, 1938, vol. 8, p. 1844 - 1849
  作者：Pikina, J. I.、Talalaeva, T. V.、Kocheshkov, K. A.

  DOI：——

  日期：——
• Talalaeva, T. V.; Kocheshkov, K. A., Zhurnal Obshchei Khimii, 1942, vol. 12, p. 403 - 407
  作者：Talalaeva, T. V.、Kocheshkov, K. A.

  DOI：——

  日期：——