[2,6-bis(methoxymethyl)phenyl](triphenyl)tin | 473332-52-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2,6-bis(methoxymethyl)phenyl](triphenyl)tin
• 英文别名: 2,6-(MeOCH2)2C6H3SnPh3；SnPh3(2,6-bis(methoxymethyl)benzene)
• CAS: 473332-52-4
• 化学式: C₂₈H₂₈O₂Sn
• 分子量: 515.239
• InChiKey: NHHJAQRZIBVBPT-UHFFFAOYSA-N

物化性质

• 熔点：
  88-93 °C(Solv: hexane (110-54-3))
• 沸点：
  543.9±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [2,6-bis(methoxymethyl)phenyl](triphenyl)tin 、 碘 以 二氯甲烷 为溶剂， 以70%的产率得到[2,6-bis(methoxymethyl)phenyl]diphenyltin iodide
  参考文献：
  名称：

  Quest for Organotin(IV) Cations Containing O,C,O-Chelating Ligands

  摘要：

  A set of triorganotin(IV) compounds (Ph2LSnX)-Sn-1 and (Ph2LSnX)-Sn-2 (1-9) with O,C,O-chelating ligands L-1 and L-2 (L (1) = 2,6-(MeOCH2)(2)C6H3 and L-2 = 2,6-(t-BuOCH2)(2)C6H3) containing different electronegative substituents X (X = I, CF3COO, CF3SO3, PFr6 and HgI3) was prepared. These compounds have been characterized by elemental analysis, ESI-MS, and H-1, C-13, and Sn-119 NMR spectroscopy. X-ray diffraction analysis showed that the decrease of the nucleophilicity of X resulted in the formation of organotin cations stabilized by two strong Sn-O intramolecular interactions. In this transformation the ligand geometry about the tin atom changed from tetrahedral to trigonal bipyramidal with the OR groups in trans arrangement. Solution NMR studies indicated that the coordination geometry of these compounds is the same in the solid state and solution.

  DOI：

  10.1021/om049636f
• 作为产物：
  描述：

  1-bromo-2,6-bis(methoxymethyl)benzene 、 三苯基氯化锡 在 nBuLi 作用下， 以 乙醚 、 正己烷 为溶剂， 以68%的产率得到[2,6-bis(methoxymethyl)phenyl](triphenyl)tin
  参考文献：
  名称：

  一些O，C，O螯合配体的有机锡（IV）衍生物

  摘要：

  该系列有机锡（IV）配合物的大号1 - 3 SnPh ñ氯3 - ñ，其中L 1 - 3是O，C，O-螯合配位体（称为钳配体），2,6-双（烷氧基甲基）苯基，2,6-（ROCH 2）2 C ^ 6 ħ 3 -（L 1，R =我，L 2，R =我-Pr，L 3，R =吨-Bu，ñ = 3-0），已合成并以1 H，13 C和119为特征Sn NMR光谱，MS-ESI光谱和元素分析。所选化合物的结构L 1 SnPh 3（1），L 1 SnPh 2 Cl（2），L 1 SnPhCl 2（3），L 1 SnCl 3（4），L 2 SnPhCl 2（7）和L 3 SnPhCl通过X射线晶体学研究2（11）和119固态的Sn CP / MAS NMR光谱。晶体结构的确定揭示了配位多面体的所有形状的相似性。配位多面体形状的变形取决于供体-受体Sn-O相互作用的程度（从极弱（原子间距离Sn-O 2.963（1）Å）到中等强度（2

  DOI：

  10.1021/om020361i

文献信息

• Reactivity of intramolecularly coordinated aluminum compounds to R3EOH (E = Sn, Si). Remarkable migration of N,C,N and O,C,O pincer ligands
  作者：Libor Dostál、Roman Jambor、Aleš Růžička、Robert Jirásko、Ivana Císařová、Jaroslav Holeček

  DOI：10.1016/j.jorganchem.2005.08.043

  日期：2006.1

  The reaction of organoaluminum compounds containing O,C,O or N,C,N chelating (so called pincer) ligands [2,6-(YCH2)(2)C6H3]-(AlBu2)-Bu-i (Y = MeO 1, (BuO)-Bu-t 2, Me2N 3) with R3SnOH (R = Ph or Me) gives tetraorganotin complexes [2,6-(YCH2)(2)C6H3]SnR3 (Y = MeO, R = Ph 4, Y = MeO, R = Me 5; Y = (BuO)-Bu-t, R = Ph 6, Y = (BuO)-Bu-t, R = Me 7; Y = Me2N, R = Ph 8, Y = Me2N, R = Me 9) as the result of migration of O,C,O or N,C,N pincer ligands from aluminum to tin atom. Reaction of 1 and 2 with ((Bu3Sn)-Bu-n)(2)O proceeded in similar fashion resulting in 10 and 11 ([2,6-(YCH2)(2)C6H3](SnBu3)-Bu-n, Y = MeO 10; Y = (BuO)-Bu-t 11) in mixture with (Bu3SnBu)-Bu-n-Bu-i. The reaction I and 3 with 2 equiv. of Ph3SiOH followed another reaction path and ([2,6-(YCH2)(2)C6H3]Al(OSiPh3)(2), Y = MeO 12, Me2N 13) were observed as the products of alkane elimination. The organotin derivatives 4-11 were characterized by the help of elemental analysis, ESI-MS technique, H-1, C-13, Sn-119 NMR spectroscopy and in the case 6 and 8 by single crystal X-ray diffraction (XRD). Compounds 12 and 13 were identified using elemental analysis, H-1, C-13, Si-29 NMR and IR spectroscopy. (c) 2005 Elsevier B.V. All rights reserved.