3,12-bis(dibromomethylidene)-1,14-diphenyl-tetradeca-1,4,6,8,10,13-hexayne | 835874-35-6

• 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: 3,12-bis(dibromomethylidene)-1,14-diphenyl-tetradeca-1,4,6,8,10,13-hexayne
• 英文别名: [3,12-Bis(dibromomethylidene)-14-phenyltetradeca-1,4,6,8,10,13-hexaynyl]benzene
• CAS: 835874-35-6
• 化学式: C₂₈H₁₀Br₄
• 分子量: 666.003
• InChiKey: GNSUSOATQPDHNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  3,12-bis(dibromomethylidene)-1,14-diphenyl-tetradeca-1,4,6,8,10,13-hexayne 在 正丁基锂 作用下， 以 正己烷 、 甲苯 为溶剂， 以13%的产率得到1,16-diphenyldodeca-1,3,5,7,9,11,13,15-octayne
  参考文献：
  名称：

  Synthesis, Structure, and Nonlinear Optical Properties of Diarylpolyynes

  摘要：

  A series of alpha,omega-diarylpolyynes has been synthesized. In addition to the synthesis of three hexaynes (3a-c), a notably improved synthesis of 1,16-diphenylhexadecaoctayne (5) is described. The third-order nonlinear optical characteristics for these molecules have been studied and show a substantial increase in molecular hyperpolarizability (gamma) as a function of increasing length. The unusual solid-state structures of compounds 3a and 3b are reported.

  DOI：

  10.1021/ol047931q
• 作为产物：
  描述：

  7-phenyl-1-trimethylsilyl-(5-dibromomethylidene)-1,3,6,-heptatriyne 在 四甲基乙二胺 、 氧气 、 potassium carbonate 、 copper(l) chloride 作用下， 以 四氢呋喃 、 甲醇 、 various solvents 为溶剂， 反应 0.75h， 生成 3,12-bis(dibromomethylidene)-1,14-diphenyl-tetradeca-1,4,6,8,10,13-hexayne
  参考文献：
  名称：

  Synthesis, Structure, and Nonlinear Optical Properties of Diarylpolyynes

  摘要：

  A series of alpha,omega-diarylpolyynes has been synthesized. In addition to the synthesis of three hexaynes (3a-c), a notably improved synthesis of 1,16-diphenylhexadecaoctayne (5) is described. The third-order nonlinear optical characteristics for these molecules have been studied and show a substantial increase in molecular hyperpolarizability (gamma) as a function of increasing length. The unusual solid-state structures of compounds 3a and 3b are reported.

  DOI：

  10.1021/ol047931q