1,4-dimethoxy-2-ethynyl-5-(ethynylphenyl)benzene | 359713-53-4

• 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-dimethoxy-2-ethynyl-5-(ethynylphenyl)benzene
• 英文别名: (1-ethynyl-2,5-dimethoxy-4-ethynyl)benzene；1-Ethynyl-2,5-dimethoxy-4-(2-phenylethynyl)benzene
• CAS: 359713-53-4
• 化学式: C₁₈H₁₄O₂
• 分子量: 262.308
• InChiKey: WYWSMFLNJGVPOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-dimethoxy-2-ethynyl-5-(ethynylphenyl)benzene 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ copper(l) iodide 、 ammonium cerium(IV) nitrate 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 72.0h， 生成 2-ethynylphenyl-5-((4'-thioacetyl)ethynylphenyl)benzoquinone
  参考文献：
  名称：

  Accoutrements of a molecular computer: switches, memory components and alligator clips

  摘要：

  Several second generation memory components consisting of oligo(phenylene ethynylene)s containing easily reducible functionalities consisting of either nitro or quinone cores have been synthesized for incorporation into molecular electronic devices. Additionally, two new types of contacts between organic compounds and a metal surface based on diazonium salts or pyridine have been synthesized and integrated into molecules for use in molecular electronic devices. (C) 2001 Elsevier Science Ltd. Ah rights reserved.

  DOI：

  10.1016/s0040-4020(01)00361-1
• 作为产物：
  描述：

  1,4-dimethoxy-2-ethynylphenyl-5-(trimethylsilylethynyl)benzene 在 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以79%的产率得到1,4-dimethoxy-2-ethynyl-5-(ethynylphenyl)benzene
  参考文献：
  名称：

  Accoutrements of a molecular computer: switches, memory components and alligator clips

  摘要：

  Several second generation memory components consisting of oligo(phenylene ethynylene)s containing easily reducible functionalities consisting of either nitro or quinone cores have been synthesized for incorporation into molecular electronic devices. Additionally, two new types of contacts between organic compounds and a metal surface based on diazonium salts or pyridine have been synthesized and integrated into molecules for use in molecular electronic devices. (C) 2001 Elsevier Science Ltd. Ah rights reserved.

  DOI：

  10.1016/s0040-4020(01)00361-1

文献信息

• Triplet Excited States of Some Thiophene and Triazole Substituted Platinum(II) Acetylide Chromophores
  作者：Eirik Glimsdal、Ingunn Dragland、Marcus Carlsson、Bertil Eliasson、Thor Bernt Melø、Mikael Lindgren

  DOI：10.1021/jp8083277

  日期：2009.4.9

  acetylide compounds (trans-Pt(PBu3)2(C≡C-R)2) with the R group consisting of two or three aryl rings (phenyl, phenyl/thiophenyl, phenyl/triazolyl) linked together with ethynyl groups were systematically investigated. Four new structurally similar compounds are reported with: (i) a bithiophene unit in the ligands, (ii) methyl or (iii) methoxy substituents on the aryl ring ligands that promote a more twisted

  一系列乙炔铂（II）化合物（反式-Pt（PBu 3）2（C≡CR）2的光物理性质系统地研究了R基团由两个或三个与乙炔基连接在一起的芳环（苯基，苯基/硫代苯基，苯基/三唑基）组成。报道了四种新的结构相似的化合物，其具有：（i）配体中的联噻吩单元，（ii）芳基环配体上的甲基或（iii）甲氧基取代基，可沿分子的长轴促进更扭曲的构象，以及（ iv）具有两个不同的炔基芳基配体，相对于光活性金属离子中心产生不对称取代。光谱研究包括光吸收，光谱和时间分辨的发光以及瞬态吸收光谱。300至420 nm之间的基态UV吸收产生荧光，其量子效率在0的范围内。1-1％且有效的系统间穿越到三重态。在氧气排空的样品中，磷光衰减时间约为10-500μs。三重态也导致400至800 nm之间的宽带三重态-三重态吸收很强。发现具有不对称取代的配合物填充了具有不同结构和能量的两个三重态。
• Structure, Synthesis, and Applications for Oligo Phenylene Ethynylenes
  申请人：Whitten David

  公开号：US20110223058A1

  公开（公告）日：2011-09-15

  Novel compounds generally referred to herein as cationic oligomeric phenylene ethynylenes (OPEs), methods of synthesizing OPEs and various uses for the OPEs are described. The compounds can be synthesized in both symmetrical (S-OPE) and non-symmetrical (N-OPE) forms. Suitable uses include sensor and biocidal applications. Reusable structures incorporating the OPEs that are able to capture and release biological species of interest are also described.
• Accoutrements of a molecular computer: switches, memory components and alligator clips
  作者：Shawn M. Dirk、David W. Price、Stephanie Chanteau、Dmitry V. Kosynkin、James M. Tour

  DOI：10.1016/s0040-4020(01)00361-1

  日期：2001.6

  Several second generation memory components consisting of oligo(phenylene ethynylene)s containing easily reducible functionalities consisting of either nitro or quinone cores have been synthesized for incorporation into molecular electronic devices. Additionally, two new types of contacts between organic compounds and a metal surface based on diazonium salts or pyridine have been synthesized and integrated into molecules for use in molecular electronic devices. (C) 2001 Elsevier Science Ltd. Ah rights reserved.