3,5二乙炔基苯甲酸乙酯 | 437707-60-3

• 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: 3,5二乙炔基苯甲酸乙酯
• 英文名称: ethyl 3,5-diethynylbenzoate
• CAS: 437707-60-3
• 化学式: C₁₃H₁₀O₂
• 分子量: 198.221
• InChiKey: MGCSFIPLZFFWII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,5二乙炔基苯甲酸乙酯 在 sodium hydroxide 、 水 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以50%的产率得到3,5-二乙炔苯甲酸
  参考文献：
  名称：

  Helical Pitch of m-Phenylene Ethynylene Foldamers by Double Spin Labeling

  摘要：

  To investigate the helical conformation of oligo(m-phenylene ethynylene)s, a pair of TEMPO spin labels were appended to the backbone. The two TEMPO radicals were separated by the four, five, and six repeating units. ESR spectra of the labeled oligomers were measured in chloroform and in ethyl acetate solvents in which the oligomers are disordered and folded, respectively. The measurement and analysis of ESR spectra revealed that six repeating units make one helical turn.

  DOI：

  10.1021/ja027437m
• 作为产物：
  描述：

  ethyl 3,5-bis[(trimethylsilyl)ethynyl]benzoate 在 四丁基氟化铵 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以92%的产率得到3,5二乙炔基苯甲酸乙酯
  参考文献：
  名称：

  新型树突状天线状聚吡啶配体的合成

  摘要：

  多齿聚吡啶配体，3,5-双（2,2'-联吡啶-4-基乙炔基）苯甲酸和3,5-双（2,5-双（2-吡啶基）-吡啶-4-基乙炔基）的有效合成苯甲酸被开发出来，潜在地用于染料敏化太阳能电池的钌染料的生产。中间产物和最终化合物的分离很简单，产率很高。获得的配体可用于合成众所周知且非常有效的N3染料和“黑色染料”的树枝状类似物。

  DOI：

  10.2478/s11696-012-0196-5

文献信息

• K₃PO₄-KOH Mixture as Efficient Reagent for the Deprotection of 4-Aryl-2-methyl-3-butyn-2-ols to Terminal Acetylenes
  作者：Alexey Smeyanov、Andreas Schmidt

  DOI：10.1080/00397911.2012.744841

  日期：2013.10.18

  Abstract A mixture of potassium hydroxide and potassium phosphate was found to be an active reagent mixture for the cleavage of 2-hydroxypropyl-protected acetylenes. The reaction was performed in toluene at reflux temperature and gave terminal acetylenes in good to excellent yields within very short periods of time. Numerous other functional groups are tolerated. Supplementary materials are available

  摘要 氢氧化钾和磷酸钾的混合物被发现是裂解 2-羟丙基保护的乙炔的活性试剂混合物。该反应在回流温度下在甲苯中进行，并在很短的时间内以良好至极好的收率得到末端乙炔。可以容忍许多其他官能团。补充材料可用于本文。访问出版商的 Synthetic Communications® 在线版，了解完整的实验和光谱细节。图形概要
• Synthesis of a novel dinuclear ruthenium polypyridine dye for dye-sensitized solar cells application
  作者：M. Zalas、B. Gierczyk、M. Klein、K. Siuzdak、T. Pędziński、T. Łuczak

  DOI：10.1016/j.poly.2013.09.023

  日期：2014.1

  A new dinuclear ruthenium(II) polypyridine complex has been successfully synthesized. The new compound has been characterized by spectroscopic and electrochemical methods. Its potential application as a sensitizing dye in dye-sensitized solar cells has been checked under AM 1.5 G irradiation conditions (100 mW cm(-2)) and its performance was compared to that of a commercially available mononuclear analogous dye. The overall light-to-electricity conversion efficiency of the photovoltaic device sensitized by the new dinuclear dye has been found to be over 2.5 times lower than that sensitized by the commercial analogue, despite a much higher extinction coefficient of the former dye. The probable reasons for the lower photovoltaic activity are discussed. (C) 2013 Elsevier Ltd. All rights reserved.