1,1'-(1,2-ethynyldiyl)bis<2-<(2-ethynylphenyl)ethynyl>-benzene> | 215300-84-8

• 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: 1,1'-(1,2-ethynyldiyl)bis<2-<(2-ethynylphenyl)ethynyl>-benzene>
• 英文别名: 1-Ethynyl-2-[2-[2-[2-[2-[2-(2-ethynylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
• CAS: 215300-84-8
• 化学式: C₃₄H₁₈
• 分子量: 426.517
• InChiKey: ZWSPQVHIJYFNHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• 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：

  1,1'-(1,2-ethynyldiyl)bis<2-<(2-ethynylphenyl)ethynyl>-benzene> 在 吡啶 、 copper(l) iodide 、 氧气 作用下， 以 甲醇 为溶剂， 以89.3%的产率得到1,2:5,6:9,10:13,14-tetrabenzo-3,7,11,15,17-pentadehydro<18>annulene
  参考文献：
  名称：

  摘要：

  The synthesis, characterization, and crystal structures of two novel strained cyclic diacetylenes are reported. A discussion is presented about the relative bond distances of the diacetylenes compared to a previously reported strained cyclic diacetylene to further determine the degree of aromaticity of that compound. 1,2:5,6:9,10:13,14-Tetrabenzo-3,7,11,15,17-pentadehydro[18] annulene (5) is triclinic, P(-)1, with alpha = 9.489(5), b = 10.550(5), c = 12.155(6) Angstrom, alpha = 100.50(4), beta = 106.50(4), gamma = 100.85(4)degrees. 1,2:5,6:9,10:13,14:17,18-Pentabenzo-3,7,11,15,19,23,25-heptadehydro[26]annulene (7) is triclinic, P(-)1, with a = 9.611(2), b = 10.388(3), c = 15.963(3) Angstrom, alpha = 88.67(2), beta = 76.25(1), gamma = 68.69(2). In addition, two precursors of 5, 3 and 4 which have a helical twist, are reported. [1,2-ethynediyl-bis(2,1-phenylene-2,1-ethynediyl-2, 1-phenylene-2,1-ethynediyl]bis[trimethyl-silane] (3) is monoclinic, P2(1)/c, with a = 13.682(4), b = 9.787(2), c = 13.448(4) Angstrom, beta = 112.37(2)degrees. 1,1'-(1,2-ethynyldiyl)bis[2-[(2-ethynylphenyl)ethynyl]-benzene (4) is monoclinic, P2(1)/n, with a = 15.951(3), b = 3.999(1), c = 18.168(4) Angstrom. beta = 99.05(3)degrees.

  DOI：

  10.1023/a:1022408107946
• 作为产物：
  描述：

  双(2-乙炔基苯基)乙炔 在 potassium fluoride 、 copper(l) iodide 、 二(氰基苯)二氯化钯 、 三乙胺 、 三苯基膦 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 1,1'-(1,2-ethynyldiyl)bis<2-<(2-ethynylphenyl)ethynyl>-benzene>
  参考文献：
  名称：

  摘要：

  The synthesis, characterization, and crystal structures of two novel strained cyclic diacetylenes are reported. A discussion is presented about the relative bond distances of the diacetylenes compared to a previously reported strained cyclic diacetylene to further determine the degree of aromaticity of that compound. 1,2:5,6:9,10:13,14-Tetrabenzo-3,7,11,15,17-pentadehydro[18] annulene (5) is triclinic, P(-)1, with alpha = 9.489(5), b = 10.550(5), c = 12.155(6) Angstrom, alpha = 100.50(4), beta = 106.50(4), gamma = 100.85(4)degrees. 1,2:5,6:9,10:13,14:17,18-Pentabenzo-3,7,11,15,19,23,25-heptadehydro[26]annulene (7) is triclinic, P(-)1, with a = 9.611(2), b = 10.388(3), c = 15.963(3) Angstrom, alpha = 88.67(2), beta = 76.25(1), gamma = 68.69(2). In addition, two precursors of 5, 3 and 4 which have a helical twist, are reported. [1,2-ethynediyl-bis(2,1-phenylene-2,1-ethynediyl-2, 1-phenylene-2,1-ethynediyl]bis[trimethyl-silane] (3) is monoclinic, P2(1)/c, with a = 13.682(4), b = 9.787(2), c = 13.448(4) Angstrom, beta = 112.37(2)degrees. 1,1'-(1,2-ethynyldiyl)bis[2-[(2-ethynylphenyl)ethynyl]-benzene (4) is monoclinic, P2(1)/n, with a = 15.951(3), b = 3.999(1), c = 18.168(4) Angstrom. beta = 99.05(3)degrees.

  DOI：

  10.1023/a:1022408107946

文献信息

• Structures and Solvatochromic Phosphorescence of Dicationic Terpyridyl-Platinum(II) Complexes with Foldable Oligo(<i>ortho</i>-phenyleneethynylene) Bridging Ligands
  作者：Ming-Xin Zhu、Wei Lu、Nianyong Zhu、Chi-Ming Che

  DOI：10.1002/chem.200800394

  日期：2008.10.29

  complexes, [(tBu3tpy)Pt--(C[triple chemical bond]C--1,2-C6H4)n--C[triple chemical bond]C--Pt(tBu3tpy)][ClO4]2 (1-7, n=1, 2, 3, 4, 5, 6, 8; tBu3tpy=4,4',4''-tri-tert-butyl-2,2':6',2''-terpyridine) with foldable oligo(ortho-phenyleneethynylene) linkers were prepared and characterized by spectroscopic methods and/or X-ray crystallographic analyses. In the crystal structures of 32.5 CH3OH, 5CH3CN, and 64

  一系列双核有机铂（II）配合物，[（tBu3tpy）Pt-（C [三重化学键] C--1,2-C6H4）n--C [三重化学键] C--Pt（tBu3tpy）] [ClO4] 2（1-7，n = 1，2，3，4，5，6，8; tBu3tpy = 4,4'，4''-三叔丁基-2,2'：6'，制备具有可折叠的寡（邻-亚苯基亚乙炔基）连接基的2′-叔吡啶），并通过光谱法和/或X射线晶体学分析对其进行表征。在32.5 CH3OH，5CH3CN和64 CH3CN的晶体结构中，每个桥接的邻亚苯基亚乙炔基配体均具有部分折叠的构象。在水百分比大于40％的充气水/乙腈混合物中，与乙腈中记录的配合物相比，配合物3-7的发射发生红移并增强。发射能量的红移和增强的发射强度可归因于通过向乙腈中的铂（II）配合物溶液中添加水而引起的分子间和/或分子间相互作用。来自动态光散射和透射电子显微镜研究的数据表明，这些双核铂（