4,4'-bis(trichlorotinmethyl)biphenyl | 947257-52-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4'-bis(trichlorotinmethyl)biphenyl
• 英文别名: 4,4'-bis[trichlorotinmethyl]biphenyl
• CAS: 947257-52-5
• 化学式: C₁₄H₁₂Cl₆Sn₂
• 分子量: 630.387
• InChiKey: UKIFZQXJPAWCPR-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  6.83
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  4,4'-bis(trichlorotinmethyl)biphenyl 、 丙炔 在 n-butyllithium 作用下， 以 正己烷 、 甲苯 为溶剂， 以70%的产率得到4,4'-bis(triprop-1-ynyltinmethyl)biphenyl
  参考文献：
  名称：

  α,ω-Bis(trialkynyltin) Compounds with a Linear or Cross-Shaped Spacer

  摘要：

  The preparation of arylene-, alkylene-, or dimethylenediphenyl-bridged bis(trichlorotin) compounds with two or three phenyl rings from the reaction of the corresponding hexacyclohexyl derivatives with tin tetrachloride is described. Hexachlorides with mixed aryl-alkyl bridges were prepared in the same way. When arylene-bridged ditins were substituted on aryl rings with alkoxy groups, it was necessary to use hexamethyl derivatives instead of the cyclohexyl compounds to obtain the corresponding hexachlorides. In these compounds, weak inter- and/or intramolecular interactions were detected by X-ray analysis. The ditin hexachlorides were transformed into the corresponding hexaalkynyl derivatives, precursors for hybrid materials.

  DOI：

  10.1021/om070078p
• 作为产物：
  描述：

  联苯二氯苄 在 magnesium 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 4,4'-bis(trichlorotinmethyl)biphenyl
  参考文献：
  名称：

  α,ω-Bis(trialkynyltin) Compounds with a Linear or Cross-Shaped Spacer

  摘要：

  The preparation of arylene-, alkylene-, or dimethylenediphenyl-bridged bis(trichlorotin) compounds with two or three phenyl rings from the reaction of the corresponding hexacyclohexyl derivatives with tin tetrachloride is described. Hexachlorides with mixed aryl-alkyl bridges were prepared in the same way. When arylene-bridged ditins were substituted on aryl rings with alkoxy groups, it was necessary to use hexamethyl derivatives instead of the cyclohexyl compounds to obtain the corresponding hexachlorides. In these compounds, weak inter- and/or intramolecular interactions were detected by X-ray analysis. The ditin hexachlorides were transformed into the corresponding hexaalkynyl derivatives, precursors for hybrid materials.

  DOI：

  10.1021/om070078p

文献信息

• Preparation and Conformation of Organo-Bridged Bis[tris(arylchalcogenolato)tin] Compounds - An Experimental and Quantum Chemical Study
  作者：Hari Pada Nayek、Heiko Niedermeyer、Stefanie Dehnen

  DOI：10.1002/zaac.200800263

  日期：2008.12

  Seven organo-bridged bis[tris(arylchalcogenolato)tin] compounds with the general formulae (R′E)3Sn–R–Sn(ER′)3 (R = –(CH2)4–, 1,4-bis(methyl)benzene, 4,4′-bis(methyl)biphenyl; R′ = Ph, 1-Np, 2-Np; E = S, Se) were synthesized and characterized by means of X-ray diffractometry as well as NMR spectroscopy. Three different conformations of the arylchalcogenolato groups ER′ with respect to the bridging group

  具有通式 (R'E)3Sn–R–Sn(ER')3 (R = –(CH2)4–, 1,4-bis(methyl)) 的七种有机桥连双[三(芳基硫属元素)锡]化合物苯，4,4'-双(甲基)联苯；R' = Ph, 1-Np, 2-Np; E = S, Se) 合成并通过 X 射线衍射和核磁共振光谱表征。通过量子化学研究合理化和解释了芳基硫属化合物基团 ER' 相对于桥接基团 R 的三种不同构象。