1,4-bis(trichlorostannylmethyl)benzene | 476014-59-2

• 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: 1,4-bis(trichlorostannylmethyl)benzene
• 英文别名: 1,4-bis[trichlorostannylmethyl]benzene；trichloro-[[4-(trichlorostannylmethyl)phenyl]methyl]stannane
• CAS: 476014-59-2
• 化学式: C₈H₈Cl₆Sn₂
• 分子量: 554.29
• InChiKey: PCIIOUAWQYNTME-UHFFFAOYSA-H

物化性质

• 沸点：
  473.7±38.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.16
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,4-bis(trichlorostannylmethyl)benzene 、 丙炔 在 n-butyl lithium 作用下， 以 甲苯 为溶剂， 以62%的产率得到1,4-bis(triprop-1-ynylstannylmethyl)benzene
  参考文献：
  名称：

  A General Route to Alkylene-, Arylene-, or Benzylene-Bridged Ditin Hexachlorides and Hexaalkynides

  摘要：

  The preparation of alkylene-, arylene-, or benzylene-bridged ditin hexachlorides in high yields from the reaction of the corresponding hexacyclohexylated compounds with tin tetrachloride is described. The tetragonal geometry of the tin atom of 1,4-bis(trichlorostannyl)-butane in the solid state indicates that no intramolecular or intermolecular interaction involving either end of the molecule exists in this compound. The ditin hexachlorides were successfully transformed in the corresponding hexaalkynides, precursors of hybrid materials.

  DOI：

  10.1021/om0202468
• 作为产物：
  描述：

  1,4-对二氯苄 在 Mg 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 1,4-bis(trichlorostannylmethyl)benzene
  参考文献：
  名称：

  A General Route to Alkylene-, Arylene-, or Benzylene-Bridged Ditin Hexachlorides and Hexaalkynides

  摘要：

  The preparation of alkylene-, arylene-, or benzylene-bridged ditin hexachlorides in high yields from the reaction of the corresponding hexacyclohexylated compounds with tin tetrachloride is described. The tetragonal geometry of the tin atom of 1,4-bis(trichlorostannyl)-butane in the solid state indicates that no intramolecular or intermolecular interaction involving either end of the molecule exists in this compound. The ditin hexachlorides were successfully transformed in the corresponding hexaalkynides, precursors of hybrid materials.

  DOI：

  10.1021/om0202468

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。