tetrakis(2,4-dimethylphenyl)stannane

• 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: tetrakis(2,4-dimethylphenyl)stannane
• 英文别名: Sn{2,4-dimethyl-phenyl}4；tetra-2,4-xylyltin；tetrakis-(2,4-dimethyl-phenyl)-stannane；Tetrakis-(2,4-dimethyl-phenyl)-stannan；Tetra-m-xylyl-zinn
• 化学式: C₃₂H₃₆Sn
• 分子量: 539.348
• InChiKey: ICMRHKBFTAHYDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.03
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  tri-2,4-xylyltinchloride 、 di-2,4-xylyltinchloride 、 tetrakis(2,4-dimethylphenyl)stannane 、 四氯化锡 反应 2.0h， 以18%的产率得到2,4-xylyltin trichloride
  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：

  (2,4-dimethylphenyl)magnesium bromide 在 乙醚 、 四氯化锡 作用下， 生成 tetrakis(2,4-dimethylphenyl)stannane
  参考文献：
  名称：

  Krause; Becker, Chemische Berichte, 1920, vol. 53, p. 185 Anm. 1

  摘要：

  DOI：

文献信息

• Über tetraaryl-methan-analoga in der gruppe 14
  作者：Claudia Schneider-Koglin、Bernd Mathiasch、Martin Dräger

  DOI：10.1016/0022-328x(94)80074-x

  日期：1994.4

  The title compounds have been synthesized by Grignard reactions or pyrolysis of diplumbanes respectively. The crystal structures of m-Tol4Pb and Ph4Pb (redetermination) have been determined. All eight compounds (Ph/Tol)4(Sn/Pb) are S4 symmetric and contracted along this unique axis. The 13C-NMR chemical shifts and the couplings 1J(119Sn/207Pb13C) as well depend additively upon the methyl substituents

  分别通过格氏反应或双潘班的热解合成了标题化合物。已经确定了m -Tol 4 Pb和Ph 4 Pb的晶体结构（重新测定）。所有八种化合物（Ph / Tol）4（Sn / Pb）都是S 4对称的，并且沿着这个唯一的轴收缩。的13 C-NMR化学位移和联接器1 Ĵ（119的Sn / 207 Pb 13 C），以及附加地取决于甲基取代基。比例1 ķ（207 Pb 13 C）：1 ķ（119 Sn coupling 13 C）的降低的耦合常数都接近1.61；给出了与文献中烷基，烯基和炔基取代基的值的比较。δ（207 Pb）：δ（119 Sn）之比为2.28。给出了IR（700至200 cm -1）和拉曼（700至50 cm -1）数据。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Verb.1, 1.1.1.16.6, page 169 - 176
  作者：

  DOI：——

  日期：——
• Krause, E.; Becker, R., Berichte der Deutschen Chemischen Gesellschaft, 1920, vol. 53, p. 173 - 191
  作者：Krause, E.、Becker, R.

  DOI：——

  日期：——
• Aryltin chlorides and hydrides: Preparation, detailed NMR studies and DFT calculations
  作者：Cathrin Zeppek、Johann Pichler、Ana Torvisco、Michaela Flock、Frank Uhlig

  DOI：10.1016/j.jorganchem.2013.03.012

  日期：2013.9

  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.
• Krause; Becker, Chemische Berichte, 1920, vol. 53, p. 185 Anm. 1
  作者：Krause、Becker

  DOI：——

  日期：——