1,2,3,4,5,6-六烷基[4-乙炔基苯基]苯 | 252238-71-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2,3,4,5,6-六烷基[4-乙炔基苯基]苯
• 英文名称: hexakis(4-ethynylphenyl)benzene
• 英文别名: 1,2,3,4,5,6-hexakis[4-ethinylphenyl]benzene；hexa(4-ethynylphenyl)benzene；hexaalkynylphenylbenzene；4,4''-Diethynyl-3',4',5',6'-tetrakis(4-ethynylphenyl)-1,1':2',1''-terphenyl；1,2,3,4,5,6-hexakis(4-ethynylphenyl)benzene
• CAS: 252238-71-4
• 化学式: C₅₄H₃₀
• 分子量: 678.832
• InChiKey: RIQNCWADMZKTFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  7.0
• 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：

  (4-碘苯基乙炔)三甲基硅烷 、 1,2,3,4,5,6-六烷基[4-乙炔基苯基]苯 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 反应 12.0h， 以42.2%的产率得到
  参考文献：
  名称：

  Metallostars: High-Nuclearity Linearly Developed Nanostructures Containing Multiple Cluster Motifs

  摘要：

  Metallostars are complexes in which a single branching site bears a number of metallated arms. Although they are related to metallodendrimers, they have the advantage of being capable of extending in an unlimited sense; in contrast to metallodendrimers, steric interactions decrease with increasing generation number. In this paper a series of polyalkyne stars with four and six arms, based upon a single tetrahedral carbon core and a benzene core, respectively, are reported and their reactions with [Co-2(CO)(8)] to give metallostars that contain multiple {C2Co2(CO)(6)} motifs are described.

  DOI：

  10.1002/1521-3765(20001201)6:23<4364::aid-chem4364>3.3.co;2-8
• 作为产物：
  描述：

  1,2,3,4,5,6-hexakis[4-(triisopropylsilylethinyl)phenyl]benzene 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以96%的产率得到1,2,3,4,5,6-六烷基[4-乙炔基苯基]苯
  参考文献：
  名称：

  硼嗪掺杂聚苯撑

  摘要：

  首次报道了利用乙炔基和乙炔基之间的脱羰[4 + 2] Diels-Alder环加成反应合成两个系列的硼氮杂掺杂聚苯，其中一个或多个芳基单元被硼嗪环取代。四苯基环戊二烯酮衍生物。由于硼嗪核的 N 和 B 原子上的芳基取代基上的不同基团可以对硼嗪核进行功能化，因此我们制备了具有不同掺杂剂量和取向的硼嗪掺杂聚亚苯基。为此，制备了两个分子模块：核心和支化单元。根据中心芳族模块和反应基团的化学性质，模块的每个共价组合产生一种独特的掺杂模式。通过这种方法，已经制备了具有可控取向和剂量的掺杂 B3N3 环的三和六支化杂化聚苯。详细的光物理研究表明，随着掺杂剂量的增加，强发光信号逐渐减弱。这表明 B3N3 环的存在参与了额外的失活途径，可能涉及具有增加的电荷分离特性的激发态，这在全碳类似物中受到限制。值得注意的是，对于那些具有低掺杂剂量的杂化聚苯结构，观察到取向掺杂对荧光量子产率的强烈影响。最后，我们表明

  DOI：

  10.1021/jacs.7b01477

文献信息

• Synthesis of Polyphenylene Dendrimers Related to “Cubic Graphite”
  作者：Xianfeng Shen、Douglas M. Ho、Robert A. Pascal

  DOI：10.1021/ja030675c

  日期：2004.5.1

  largest of these molecules, hexakis[4'-(pentaphenylphenyl)biphenyl-4-yl]benzene (4, C(294)H(198)) and hexakis[4'-(2,3,4,5-tetraphenylphenyl)biphenyl-4-yl]benzene (5, C(258)H(174)) are substructures of "phenylogous cubic graphite", and the other two, hexakis(2',3',4',5',6'-pentaphenylbiphenyl-4-yl)benzene (26, C(258)H(174)) and hexakis(2',3',4',5'-tetraphenylbiphenyl-4-yl)benzene (25, C(222)H(150)) are strongly

  已经通过主要采用炔烃三聚、钯催化偶联和 Diels-Alder 反应的短合成制备了四种大的 6 倍对称聚苯烃。这些分子中最大的两个，六[4'-(五苯基苯基)联苯基-4-基]苯 (4, C(294)H(198)) 和六[4'-(2,3,4,5-四苯基苯基) )biphenyl-4-yl]benzo (5, C(258)H(174)) 是“苯基立方石墨”的亚结构，另外两个，hexakis(2',3',4',5',6' -pentaphenylbiphenyl-4-yl)benzo (26, C(258)H(174)) and hexakis(2',3',4',5'-tetraphenylbiphenyl-4-yl)benzo (25, C(222)H) (150)) 是强倾斜的六叶分子螺旋桨。化合物26的X射线晶体结构也已确定；
• Visible-Light Generation of the Naked 12-Electron Fragment C₅H₅Fe⁺: Alkyne-to-Vinylidene Isomerization and Synthesis of Polynuclear Iron Vinylidene and Alkynyl Complexes Including Hexairon Stars
  作者：Yanlan Wang、Abdou K. Diallo、Cátia Ornelas、Jaime Ruiz、Didier Astruc

  DOI：10.1021/ic201206e

  日期：2012.1.2

  compact fluorescent light bulb in the presence of terminal alkynes and dppe yielded the vinylidene complexes [FeCp(═C═CHR)(dppe)][PF6] that were deprotonated by t-BuOK to yield the alkynyl complexes [FeCp(-C≡CR)(dppe)]. The reaction has been extended to the synthesis of bis-, tris, tetra-, and hexanuclear iron complexes including three alkynes of the ferrocenyl family.

  的[FeCp（η可见光光解6 -C 6 H ^ 5 CH 3）] [PF 6 ]使用简单的100-W灯泡或在末端炔烃和DPPE的存在下，紧凑型荧光灯灯泡，得到偏二配合物[FeCp通过t -BuOK使（proC═CHR）（dppe）] [PF 6 ]质子化，生成炔基配合物[FeCp（-C≡CR）（dppe）]。该反应已扩展到合成双核，三核，四核和六核铁配合物，其中包括三茂铁基族的三个炔烃。
• A Novel Approach for the Oxidative Degradation of Organic Pollutants in Aqueous Solutions Mediated by Iron Tetrasulfophthalocyanine under Visible Light Radiation
  作者：Xia Tao、Wanhong Ma、Tianyong Zhang、Jincai Zhao

  DOI：10.1002/1521-3765(20020315)8:6<1321::aid-chem1321>3.0.co;2-m

  日期：2002.3.15

  An efficient approach has been developed to decompose toxic organic pollutants. The photodegradation of Rhodamine B (RhB), salicylic acid, and Orange It was examined in the presence of iron tetrasulfophthalocyanine ([Fe(PcS)]) and H,07 under visible irradiation. It was found that under visible light irradiation, organic pollutants in the [Fe(PcS)]/H2O2 system can be rapidly degraded, but the concentration of [Fe(PcS)] remains nearly unchanged, and this indicates that [Fe(PcS)] has a good catalytic character. EPR results and other experimental results suggest that the light-activated reaction process involves the formation and reaction of HO. radicals. On the basis of the experimental results. a possible reaction mechanism for the degradation of organic pollutants under visible light illumination in the aqueous [Fe(PcS)]/H2O2 solutions is proposed.
• Synthesis and intramolecular electronic interactions of hexaarylbenzene bearing redox-active Cp*(dppe)Fe-C≡C- termini
  作者：Yuya Tanaka、Munetaka Akita

  DOI：10.1016/j.jorganchem.2018.10.002

  日期：2018.12

  Hexaphenyl- (1) and hexathienyl-benzene (2) complexes with the six redox-active Cp*(dppe)Fe-C C- units are synthesized and their properties in terms of molecular junction are investigated. Both complexes show stepwise multi-redox processes and IVCT bands in the NIR region upon progressive oxidation from the neutral to hexacationic state, as a result of intramolecular electron transfer processes via troidal conjugation through the peripheral aromatic rings. Judging from the V-ab values obtained by deconvolution analysis, electronic interaction for thienylene derivative 2 turns out to be stronger than that for the phenylene complex 1. DFT analysis of model complexes support superio'r electron transfer properties for the thienyl derivatives. (C) 2018 Published by Elsevier B.V.
• Soluble Nanographene C₂₂₂: Synthesis and Applications for Synergistic Photodynamic/Photothermal Therapy
  作者：Xiao-Hui Ma、Xing Gao、Jia-Ying Chen、Maofeng Cao、Qixuan Dai、Zhe-Kun Jia、Yuan-Biao Zhou、Xin-Jing Zhao、Chengchao Chu、Gang Liu、Yuan-Zhi Tan

  DOI：10.1021/jacs.3c08822

  日期：2024.1.31