5-(1'-chloro-1'-stannacyclohexyl)-1-trichlorostannylpentane | 179804-59-2

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: 5-(1'-chloro-1'-stannacyclohexyl)-1-trichlorostannylpentane
• 英文别名: trichloro-[5-(1-chlorostanninan-1-yl)pentyl]stannane
• CAS: 179804-59-2
• 化学式: C₁₀H₂₀Cl₄Sn₂
• 分子量: 519.501
• InChiKey: QMIKYHXHKXVRIW-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  四氯化锡 、 6-Stanna-spiro<5.5>undecan 以 正己烷 为溶剂， 以99%的产率得到5-(1'-chloro-1'-stannacyclohexyl)-1-trichlorostannylpentane
  参考文献：
  名称：

  Stannacyclohexanes and spiro-tin compounds with s stannole or a stannolene group

  摘要：

  1,1-Diethynyl-1-stannacyclohexane (5) was prepared, and its reaction with triethylborane or 9-isobutyl-9-borabicyclo[3.3.1]nonane gave the corresponding spiro-tin compounds 6 and 7 with a stannole fragment, The molecular structure of the derivative 7 was determined by X-ray analysis (triclinic, space group P (1) over bar; a = 835.2(7), b = 1117.5(2), c = 1165.6(2) pm; alpha = 72.05(3), beta = 74.32(3), gamma = 50.61(3)degrees). Treatment of 6 with trimethyltin ethoxide gave at first quantitatively the spiro-tin compound 8 with a 2-stannolene unit which rearranges upon heating into the spiro-tin compound 9 with a 3-stannolene unit, The reaction of 7 with trimethyltin butoxide gave quantitatively another tetracyclic compound 10, analogous to 8, All compounds were characterised by H-1, B-11, C-13 and Sn-119 NMR data. Numerous coupling signs (n)J((SnH)-Sn-119-H-1) and (n)J((SnC)-Sn-119-C-13) and (2)J((SnSn)-Sn-119-Sn-117) were determined by 2D(13)C/H-1 and Sn-119/H-1 heteronuclear shift correlations. Compound 7 was studied by solid-state C-13 and Sn-119 CPMAS NMR. This revealed the presence of a second crystalline phase in the bulk of the solid material, as confirmed by powder X-ray diffraction data. Sn-119 CPMAS NMR spectra of 7 show resolved scalar Sn-119-B-11 coupling ((3)J((SnB)-Sn-119-B-11) = 68 +/- 5 and 65 +/- 5 Hz).

  DOI：

  10.1016/0022-328x(96)06162-1