tricyclohexyldocosyltin | 958632-61-6

• 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
• 英文名称: tricyclohexyldocosyltin
• CAS: 958632-61-6
• 化学式: C₄₀H₇₈Sn
• 分子量: 677.769
• InChiKey: ZWAJNXBOXJQQRL-UHFFFAOYSA-N

物化性质

• 熔点：
  71 °C(Solv: ethanol (64-17-5))
• 沸点：
  652.1±38.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.26
• 重原子数：
  41.0
• 可旋转键数：
  24.0
• 环数：
  3.0
• 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：

  tricyclohexyldocosyltin 、 四氯化锡 以 二氯甲烷 为溶剂， 以83%的产率得到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
• 作为产物：
  描述：

  tricyclohexyltin hydride 、 1-溴二十二烷 在 n-butyllithium 、 diisopropylamine 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以74%的产率得到tricyclohexyldocosyltin
  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