| 139582-94-8

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡后金属化合物
• CAS: 139582-94-8
• 化学式: C₅₆H₁₂₆OSn₆
• 分子量: 1527.88
• InChiKey: YUYVDGZSVAETCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  869.2±67.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  21.51
• 重原子数：
  63.0
• 可旋转键数：
  48.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  1,1,2,2,4,4,5,5-octabutyl-3,3-bis(1,1-dimethylethyl)-1,5-bis(2-ethoxyethyl)pentastannane 在 lithium aluminium tetrahydride 、 zinc dibromide 作用下， 以 乙醚 、 正己烷 为溶剂， 以4%的产率得到1,1,1,2,2,4,4,5,5,6,6-undecabutyl-3,3-bis(1,1-dimethylethyl)-6-(2-ethoxyethyl)hexastannane
  参考文献：
  名称：

  Deconvoluting Steric and Electronic Substituent Effects on the Properties of Linear Oligostannanes:  Synthesis and Characterization of a New Series Incorporating the Bu^t₂Sn Group

  摘要：

  The synthesis and full characterization, including detailed Sn-119 NMR analysis, of the new series of oligostannanes X-(Bu2Sn)-Sn-n-[(Bu2Sn)-Sn-n](m)-(Bu2Sn)-Sn-t-[(Bu2Sn)-Sn-n](n)-(SnBu2CH2CH2OEt)-C-n (1a, X = 2-ethoxyethyl, m = n = 0; 2a, X = Bu-n, m = 0, n = 1; 3a, X = 2-ethoxyethyl, m = n = 1; 4a, X = Bu-n, m = 1, n = 2; 5a, X = 2-ethoxyethyl, m = n = 2; 6a, X = 2-ethoxyethyl, m = n = 3) that incorporate a single (Bu2Sn)-Sn-t group are reported. Comparison of this new spectroscopic database, in particular, electronic spectra and Sn-119 NMR parameters, with those obtained for known analogous per-n-butylated derivatives, including the three compounds (EtOCH2CH2Bu2Sn)-Sn-n-[(Bu2Sn)-Sn-n](n)-(SnBu2CH2CH2OEt)-C-n (1c (n = 1), 2c (n = 2), and 3c (n = 3)), which are prepared for the first time in pure form, suggest that 1a-6a are free of structural distortions caused by steric interactions between substituents on adjacent tin atoms. Accordingly, dramatic perturbations that are observed in the (1)J(Sn-119-Sn-119) values for Sn-Sn bonds that incorporate the (Bu2Sn)-Sn-t group in these compounds, relative to the per-n-butyl derivatives, are proposed to arise from an electronic effect of the tert-butyl substituent.

  DOI：

  10.1021/om980013+

文献信息

• A new strategy for the synthesis of homologously pure linear polystannane oligomers
  作者：Lawrence R. Sita

  DOI：10.1021/om00040a007

  日期：1992.4

  The reagent 6 is utilized for the stepwise synthesis of linear polystannane oligomers in which hydrostannolysis is employed as the Sn-Sn bond-forming reaction, and DIBAL-H is used to regenerate a new Sn-H functionality for extended chain growth through repetition of the two-step reaction sequence. The electronic spectra of these oligomers are influenced by chain length and the specific placement of substituents, as demonstrated by the homologous series 7, 9, and 13-15 and the phenylated di- and tristannanes 18-20.