bis[iodo(di-n-octyl)stannyl]methane | 876616-65-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: bis[iodo(di-n-octyl)stannyl]methane
• CAS: 876616-65-8
• 化学式: C₃₃H₇₀I₂Sn₂
• 分子量: 958.148
• InChiKey: BYWXBFVNKHYKTN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  14.73
• 重原子数：
  37.0
• 可旋转键数：
  30.0
• 环数：
  0.0
• 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

• 作为反应物：
  描述：

  potassium fluoride 、 bis[iodo(di-n-octyl)stannyl]methane 以 乙醚 、 水 为溶剂， 以60%的产率得到氟离子载体 I
  参考文献：
  名称：

  Bis[di‐ n ‐alkyl(fluoro)stannyl]methanes, (R ₂ FSn) ₂ CH ₂ (R = n ‐octyl, n ‐dodecyl): Stable Fluoride‐Selective Carriers

  摘要：

  AbstractThe synthesis of bis[di‐n‐alkyl(fluoro)stannyl]methanes, [(R2)FSn]2CH2, (3, R = n‐octyl; 4, R = n‐dodecyl), is reported and their unprecedented dimeric structure in solution with pentacoordinate tin atoms is rationalized on the basis of 19F and 119Sn NMR spectroscopy, osmometric molecular mass determination and electrospray mass spectrometry (ESMS). 19F and 119Sn MAS NMR and Mössbauer spectroscopy also indicate pentacoordinate tin atoms for the solid state. The ability of compounds 3 and 4 to bind fluoride ion selectively and reversibly is evaluated through potentiometric measurements. Compared with the previously reported organotin(IV)‐based fluoride ionophore [Cl(Ph2)Sn]2CH2, 3 and 4 exhibit a drastically improved lifetime, while retaining their high preference for fluoride over all other lipophilic anions evaluated. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejic.200300780
• 作为产物：
  描述：

  1-溴辛烷 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 bis[iodo(di-n-octyl)stannyl]methane
  参考文献：
  名称：

  Bis[di‐ n ‐alkyl(fluoro)stannyl]methanes, (R ₂ FSn) ₂ CH ₂ (R = n ‐octyl, n ‐dodecyl): Stable Fluoride‐Selective Carriers

  摘要：

  AbstractThe synthesis of bis[di‐n‐alkyl(fluoro)stannyl]methanes, [(R2)FSn]2CH2, (3, R = n‐octyl; 4, R = n‐dodecyl), is reported and their unprecedented dimeric structure in solution with pentacoordinate tin atoms is rationalized on the basis of 19F and 119Sn NMR spectroscopy, osmometric molecular mass determination and electrospray mass spectrometry (ESMS). 19F and 119Sn MAS NMR and Mössbauer spectroscopy also indicate pentacoordinate tin atoms for the solid state. The ability of compounds 3 and 4 to bind fluoride ion selectively and reversibly is evaluated through potentiometric measurements. Compared with the previously reported organotin(IV)‐based fluoride ionophore [Cl(Ph2)Sn]2CH2, 3 and 4 exhibit a drastically improved lifetime, while retaining their high preference for fluoride over all other lipophilic anions evaluated. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejic.200300780