trichlorodocosyltin | 958632-60-5

• 分子结构分类: 有机化合物 - 有机金属化合物 - 金属烷基卤化物
• 英文名称: trichlorodocosyltin
• CAS: 958632-60-5
• 化学式: C₂₂H₄₅Cl₃Sn
• 分子量: 534.668
• InChiKey: MFKFFAKEFVQKGI-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  10.46
• 重原子数：
  26.0
• 可旋转键数：
  21.0
• 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：

  trichlorodocosyltin 、 1-己炔 在 n-butyllithium 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以55%的产率得到docosyltri(hex-1ynyl)tin
  参考文献：
  名称：

  Synthesis and Characterization of Lipophilic Organotins. Application to the Functionalization of Silica Gel

  摘要：

  The synthesis of the lipophilic docosyltri(hex-1-ynyl)tin was achieved in three steps according to two different synthetic pathways. This compound reacted with nonporous silica to yield surface-modified silica via the loss of the three alkynyl functionalities and the formation of Si-bulk-O-Sn-C bonds. The reactivity and the maximum chain loading reached were compared to those obtained with the heptadecafluorodecyltin analogue. The differences observed were rationalized in terms of electronic demand and cross-sectional area of the grafted chain, as evidenced by FTIR spectroscopy and X-ray crystal structures of the precursors.

  DOI：

  10.1021/om700534j
• 作为产物：
  描述：

  1-溴二十二烷 在 n-butyllithium 、 diisopropylamine 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 生成 trichlorodocosyltin
  参考文献：
  名称：

  Synthesis and Characterization of Lipophilic Organotins. Application to the Functionalization of Silica Gel

  摘要：

  The synthesis of the lipophilic docosyltri(hex-1-ynyl)tin was achieved in three steps according to two different synthetic pathways. This compound reacted with nonporous silica to yield surface-modified silica via the loss of the three alkynyl functionalities and the formation of Si-bulk-O-Sn-C bonds. The reactivity and the maximum chain loading reached were compared to those obtained with the heptadecafluorodecyltin analogue. The differences observed were rationalized in terms of electronic demand and cross-sectional area of the grafted chain, as evidenced by FTIR spectroscopy and X-ray crystal structures of the precursors.

  DOI：

  10.1021/om700534j