1,4-bis(2-ethynylphenyl)ethynyl-2,5-diethynylbenzene | 731857-20-8

• 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(2-ethynylphenyl)ethynyl-2,5-diethynylbenzene
• 英文别名: 1,4-Diethynyl-2,5-bis[2-(2-ethynylphenyl)ethynyl]benzene
• CAS: 731857-20-8
• 化学式: C₃₀H₁₄
• 分子量: 374.441
• InChiKey: KBLKHKAVZIIDFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• 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：

  1,4-bis(2-ethynylphenyl)ethynyl-2,5-diethynylbenzene 在 η5-cyclopentadienylbis(ethene)cobalt 、 1,3-环己二烯 作用下， 以 四氢呋喃 为溶剂， 反应 21.5h， 以7%的产率得到benzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-a:1',2'-a']bisbiphenylene
  参考文献：
  名称：

  Syntheses of Syn and Anti Doublebent [5]Phenylene

  摘要：

  [GRAPHICS]The parent and dipropyl-substituted anti (1a,b) and syn doublebent (2a,b) [5]phenylenes have been assembled by CpCo-catalyzed double cyclization of regiospecifically constructed appropriate hexaynes. H-1 NMR, NICS, and an X-ray structural analysis of is reflect the aromatizing effect of double angular fusion on the central ring of the linear [3]phenylene substructure.

  DOI：

  10.1021/ol049225v
• 作为产物：
  描述：

  1-(dimethylthexylsilyl)ethynyl-2-ethynylbenzene 在 哌啶 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 54.67h， 生成 1,4-bis(2-ethynylphenyl)ethynyl-2,5-diethynylbenzene
  参考文献：
  名称：

  Syntheses of Syn and Anti Doublebent [5]Phenylene

  摘要：

  [GRAPHICS]The parent and dipropyl-substituted anti (1a,b) and syn doublebent (2a,b) [5]phenylenes have been assembled by CpCo-catalyzed double cyclization of regiospecifically constructed appropriate hexaynes. H-1 NMR, NICS, and an X-ray structural analysis of is reflect the aromatizing effect of double angular fusion on the central ring of the linear [3]phenylene substructure.

  DOI：

  10.1021/ol049225v

文献信息

• Synthesis and spectroscopic study of silacyclyne-substituted phenyleneethynylenes
  作者：Guoliang Mao、Akihiro Orita、Daisuke Matsuo、Takayoshi Hirate、Tetsuo Iwanaga、Shinji Toyota、Junzo Otera

  DOI：10.1016/j.tetlet.2009.03.163

  日期：2009.6

  A series of 1,1-dimethyl-4,5:8,9-dibenzo-1-silacycloundeca-4,8-diene-2,6,10-triyne (DST)-substituted phenyleneethynylenes were successfully synthesized by reaction of Me2SiCl2 with dimagnesium dianions which had been prepared from 2,2'-diethynyl(diphenylethyne) derivatives by treatment with 2 equiv of MeMgBr. All the products were white-to-pale yellow powder stable enough to handle in the air, and their photoluminescence spectra were recorded both in solution and in solid state. (C) 2009 Elsevier Ltd. All rights reserved.