1,4-Bis-(2-ethyl-hexyloxy)-2-{(E)-2-[4-((E)-2-{4-[(E)-2-(4-iodo-phenyl)-vinyl]-phenyl}-vinyl)-phenyl]-vinyl}-5-methyl-benzene | 937709-56-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,4-Bis-(2-ethyl-hexyloxy)-2-{(E)-2-[4-((E)-2-{4-[(E)-2-(4-iodo-phenyl)-vinyl]-phenyl}-vinyl)-phenyl]-vinyl}-5-methyl-benzene
• CAS: 937709-56-3
• 化学式: C₄₇H₅₇IO₂
• 分子量: 780.873
• InChiKey: GMASDXZZLUPOFI-KFJJIQBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  50.0
• 可旋转键数：
  20.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,4-Bis-(2-ethyl-hexyloxy)-2-{(E)-2-[4-((E)-2-{4-[(E)-2-(4-iodo-phenyl)-vinyl]-phenyl}-vinyl)-phenyl]-vinyl}-5-methyl-benzene 在 palladium diacetate 、 Grubbs catalyst first generation 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 20.0~100.0 ℃ 、3.0 MPa 条件下， 反应 8.0h， 生成
  参考文献：
  名称：

  Practical Synthesis of Vinyl-Substitutedp-Phenylenevinylene Oligomers and Their Triethoxysilyl Derivatives

  摘要：

  Luminescent semiconducting organic compounds are widely used as active layers in electro-optical devices. Apart from conjugated polymers, monodisperse oligomers also represent attractive materials. The synthesis of stilbenoid oligomers with polymerizable end groups is presented. Oligo(phenylenevinylene)s with terminal vinyl groups 17-19 are prepared in good yields by Horner-Emmons olefinations or by the fleck reaction of the iodo-substituted oligomers 15, 16 with cornpressed ethene. Triethoxysilyl groups can be linked via rigid 1,2-vinylene units to the chromophores 26-30, either in the direct reaction of 14, 24 with silanes 21, 22 or by cross-metathesis of 17-19 with the vinyl silanes 21, 22 using Grubbs catalyst.

  DOI：

  10.1002/1615-4169(20010430)343:4<351::aid-adsc351>3.0.co;2-2
• 作为产物：
  描述：

  在 18-冠醚-6 盐酸 、 lithium aluminium tetrahydride 、 potassium tert-butylate 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醚 为溶剂， 反应 31.0h， 生成 1,4-Bis-(2-ethyl-hexyloxy)-2-{(E)-2-[4-((E)-2-{4-[(E)-2-(4-iodo-phenyl)-vinyl]-phenyl}-vinyl)-phenyl]-vinyl}-5-methyl-benzene
  参考文献：
  名称：

  Practical Synthesis of Vinyl-Substitutedp-Phenylenevinylene Oligomers and Their Triethoxysilyl Derivatives

  摘要：

  Luminescent semiconducting organic compounds are widely used as active layers in electro-optical devices. Apart from conjugated polymers, monodisperse oligomers also represent attractive materials. The synthesis of stilbenoid oligomers with polymerizable end groups is presented. Oligo(phenylenevinylene)s with terminal vinyl groups 17-19 are prepared in good yields by Horner-Emmons olefinations or by the fleck reaction of the iodo-substituted oligomers 15, 16 with cornpressed ethene. Triethoxysilyl groups can be linked via rigid 1,2-vinylene units to the chromophores 26-30, either in the direct reaction of 14, 24 with silanes 21, 22 or by cross-metathesis of 17-19 with the vinyl silanes 21, 22 using Grubbs catalyst.

  DOI：

  10.1002/1615-4169(20010430)343:4<351::aid-adsc351>3.0.co;2-2