di-p-biphenyltin dichloride | 76300-72-6

• 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: di-p-biphenyltin dichloride
• 英文别名: (p-C6H5C6H4)2SnCl2
• CAS: 76300-72-6
• 化学式: C₂₄H₁₈Cl₂Sn
• 分子量: 496.023
• InChiKey: NMRWMXQEZJGDJE-UHFFFAOYSA-L

物化性质

• 沸点：
  529.0±53.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.05
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• 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

• 作为反应物：
  描述：

  di-p-biphenyltin dichloride 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 0.08h， 以99%的产率得到di-p-biphenyltin dihydride
  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：

  四氯化锡 、 tetra(p-biphenylyl)tin 反应 2.0h， 以70%的产率得到di-p-biphenyltin dichloride
  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

文献信息

• Synthesis and spectroscopic investigation of adducts of diorgano tin(IV) dichloride
  作者：J.C. Trehan、R.K. Sharma、C.P. Sharma

  DOI：10.1016/s0277-5387(00)81397-2

  日期：1986.1

  Abstract Adducts of bis- p -biphenyl tin(IV) dichloride of types ( p -C 6 H 5 -C 6 H 4 ) 2 SnCl 2 ·2L and ( p -C 6 H 5 -C 6 H 4 ) 2 SnCl 2 ·L 1 (where 2L = pyridine, piperidine, α-, β- or γ-picolines, isoquinoline or morpholine and L 1 = 2,2′-bipyridine or 1,10 phenanthroline) have been prepared by the reaction of bis- p -biphenyl tin(IV) dichloride with the corresponding ligand in 1:2 and 1:1 molar

  摘要（p -C 6 H 5 -C 6 H 4）2 SnCl 2·2L和（p -C 6 H 5 -C 6 H 4）2 SnCl 2类型的双-对-联苯基二氯化锡（IV）的加合物·通过bis-p反应制备了L 1（其中2L =吡啶，哌啶，α-，β-或γ-甲基吡啶，异喹啉或吗啉，L 1 = 2,2'-联吡啶或1,10菲咯啉） -二联苯基二氯化锡（IV）与相应的配体，在丙酮中的摩尔比为1：2和1：1。IR，1 H NMR和Mossbauer研究表明，联苯基位于反式位置，除了吗啉以外，在顺式位置。
• Garg, Arjun K.; Chandra, K.; Jain, M. C., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1981, vol. 20, # 4, p. 414 - 415
  作者：Garg, Arjun K.、Chandra, K.、Jain, M. C.、Kumar, N.、Garg, B. S.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Verb.1, 1.1.1.16.6, page 169 - 176
  作者：

  DOI：——

  日期：——
• Talalaeva, T. V.; Zaitseva, N. A.; Kocheshkov, K. A., Zhurnal Obshchei Khimii, 1946, vol. 16, p. 901 - 906
  作者：Talalaeva, T. V.、Zaitseva, N. A.、Kocheshkov, K. A.

  DOI：——

  日期：——
• Neumann, W. P.; Koenig, K., Liebigs Annalen der Chemie, 1964, vol. 677, p. 12 - 18
  作者：Neumann, W. P.、Koenig, K.

  DOI：——

  日期：——