2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-dioxathiatristanninane | 384816-61-9

• 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: 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-dioxathiatristanninane
• CAS: 384816-61-9
• 化学式: C₂₄H₅₄O₂SSn₃
• 分子量: 762.888
• InChiKey: JUBLHKZVVCFGEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.89
• 重原子数：
  30.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  cyclo-(t-Bu2SnO)3 、 (t-Bu2SnS)2 以 氯仿 为溶剂， 生成 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-dioxathiatristanninane 、 2,2,4,4,6,6-hexatert-butyl-1,3,5,2,4,6-oxadithiatristanninane
  参考文献：
  名称：

  Hexakis(2,4,6-triisopropylphenyl)cyclotristannoxane - a Molecular Diorganotin Oxide with Kinetically Inert Sn-O Bonds

  摘要：

  The single-crystal X-ray structure analysis of hexakis(2,4,6-triisopropylphenyl)cyclotristannoxane, cyclo-[(2,4,6-i-Pr-3-C6H2)(2)SnO](3) (1), is reported and reveals this compound to contain an almost planar six-membered ling. Redistribution reactions of 1 with cyclo-(t-Bu2SnO)(3) and t-Bu2SiCl2, respectively, failed and indicate an unusual kinetic inertness of the Sn-O bonds in 1 as compared to related molecular diorganotin oxides containing less bulkier substituents. The redistribution reaction of cyclo-(t-Bu2SnO)(3) with cyclo-(t-Bu2SnS)(2) leads to an equilibrium involving the trimeric diorganotin oxysulphides cyclo-t-Bu2Sn(OSnt-Bu-2)(2)S (2a) and cyclo-t-Bu2Sn(SSnt-Bu-2)(2)O (2b).

  DOI：

  10.1002/1521-3749(200110)627:10<2413::aid-zaac2413>3.0.co;2-h