(4-bromophenyl)-undecamethylcyclohexasilane | 352356-83-3

• 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-bromophenyl)-undecamethylcyclohexasilane
• 英文别名: 1-(4-bromophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinane
• CAS: 352356-83-3
• 化学式: C₁₇H₃₇BrSi₆
• 分子量: 489.898
• InChiKey: OOGSCFDSSVHUDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.76
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 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：

  (4-bromophenyl)-undecamethylcyclohexasilane 在 哌啶 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙醇 、 正戊烷 为溶剂， 生成 4-(2,2-dicyanoethenyl)phenyl-undecamethylcyclohexasilane
  参考文献：
  名称：

  Donor-Acceptor Substituted Cyclohexasilanes: Materials with Potential Nonlinear Optical Properties

  摘要：

  The dipolar cyclohexasilanes 1-ferrocenyl-4-((2,2-dicyanoethenyl)-phenyl)-decamethyl- cyclohexasilane (1) and 1-ferrocenyl-3-((2,2-dicyanoethenyl)-phenyl)-decamethylcyclohexasilane (2) were synthesized by conventional methods and fully characterized. Electronic absorption spectroscopic studies suggest increased sigma-pi interactions in the cyclohexasilane derivatives when compared to their open-chained analogues. Small but noticeable electron transmission effects via the cyclohexasilanyl group can be derived from cyclic voltammetric data. Significantly increased values of the quadratic hyperpolarizabilities beta in solution for 1 and 2 are shown by preliminary results of measurements using the EFISH technique.

  DOI：

  10.1007/s007060170108
• 作为产物：
  描述：

  chloroundecamethylcyclohexasilane 、 1,4-二溴苯 在 正丁基锂 作用下， 以 乙醚 为溶剂， 以90%的产率得到(4-bromophenyl)-undecamethylcyclohexasilane
  参考文献：
  名称：

  Donor-Acceptor Substituted Cyclohexasilanes: Materials with Potential Nonlinear Optical Properties

  摘要：

  The dipolar cyclohexasilanes 1-ferrocenyl-4-((2,2-dicyanoethenyl)-phenyl)-decamethyl- cyclohexasilane (1) and 1-ferrocenyl-3-((2,2-dicyanoethenyl)-phenyl)-decamethylcyclohexasilane (2) were synthesized by conventional methods and fully characterized. Electronic absorption spectroscopic studies suggest increased sigma-pi interactions in the cyclohexasilane derivatives when compared to their open-chained analogues. Small but noticeable electron transmission effects via the cyclohexasilanyl group can be derived from cyclic voltammetric data. Significantly increased values of the quadratic hyperpolarizabilities beta in solution for 1 and 2 are shown by preliminary results of measurements using the EFISH technique.

  DOI：

  10.1007/s007060170108