1-(trimethylsilylethynyl)-4-[(4-iodophenyl)ethynyl]benzene | 169231-40-7

• 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-(trimethylsilylethynyl)-4-[(4-iodophenyl)ethynyl]benzene
• 英文别名: 1-iodo-(4-(4'-trimethylsilylethynyl)phenylethynyl)benzene；2-[4-[2-(4-Iodophenyl)ethynyl]phenyl]ethynyl-trimethylsilane
• CAS: 169231-40-7
• 化学式: C₁₉H₁₇ISi
• 分子量: 400.334
• InChiKey: KFEIPDWPRLRXKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 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-(trimethylsilylethynyl)-4-[(4-iodophenyl)ethynyl]benzene 在 bis-triphenylphosphine-palladium(II) chloride sodium hydroxide 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 12.5h， 生成 ((4-((4-乙炔苯基)乙炔)苯基)乙炔)三异丙基硅烷
  参考文献：
  名称：

  Modular Synthesis of Benzene-Centered Porphyrin Trimers and a Dendritic Porphyrin Hexamer

  摘要：

  Rigid, star-shaped D-3-symmetric arrays have been synthesized in which three porphyrin macrocycles are attached to the 1, 3, and 5 positions each of a benzene core through linkers consisting of collinear repetitive phenylethynyl units. Using the same methodology, a dendridic porphyrin hexamer having an external diameter of ca. 10 nm has been also obtained. By successive substitution of the three benzene positions, both a porphyrin trimer, the three linkers of which are of different length, and a starlike porphyrin, in which the complexed metal ions are different from each other, have been synthesized. The latter is the first example of a prochiral arrangement of metal ions in a D-3-symmetric ligand. To investigate their capability of forming ordered self-assembled monolayers on gold substrates, some of the porphyrin trimers and the dendritic porphyrin hexamer described in this work bear meta-thioanisole units at the apical positions. Analogously to similar multiporphyrin systems described in the Literature, in which, however, the chromophores were arranged collinearly, the interaction between the chromophores of the multiporphyrin arrays described in this work is negligible, in the ground state, while effective energy transfer takes place in the singlet excited state.

  DOI：

  10.1021/jo980846+
• 作为产物：
  描述：

  (4-碘苯基乙炔)三甲基硅烷 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 potassium iodide 、 sodium nitrite 作用下， 反应 16.75h， 生成 1-(trimethylsilylethynyl)-4-[(4-iodophenyl)ethynyl]benzene
  参考文献：
  名称：

  棒状共轭聚炔的顺序催化合成

  摘要：

  几个聚炔X- [C≡CC 6 ħ 4 - ] Ñ C≡C-硅我镨3（X = H，森达3）具有受控的长度（N = 1，2，3，4）已经从制备通过基于Pd / Cu催化的CC交叉偶联和选择性脱甲硅基反应的迭代和收敛方法，可轻松获得4-三甲基甲硅烷基乙炔基碘苯。

  DOI：

  10.1016/0040-4020(96)00240-2

文献信息

• 重合性液晶化合物、重合性液晶組成物および光学異方体
  申请人：エルジー・ケム・リミテッド

  公开号：JP2015516972A

  公开（公告）日：2015-06-18

  本発明は、重合性液晶化合物、これを含む重合性液晶組成物および光学異方体に関する。前記重合性液晶化合物は、非芳香族環を有するメソゲン基を含む第１液晶分子由来ラジカル；前記非芳香族環を有するメソゲン基と異なる構造を有し、二重結合含有環を含むメソゲン基を有する第２液晶分子由来ラジカル；および前記第１液晶分子由来ラジカルの非芳香族環内のｓｐ３−混成化された炭素と、前記第２液晶分子由来ラジカルのメソゲン基内のｓｐ２−混成化された炭素とを互いに連結し、所定の構造を有するリンカー；を含み、前記第１および第２液晶分子由来ラジカルのうちの少なくとも一つは、前記メソゲン基に直接的にまたはスペーサ基を介して連結された一つ以上の重合性基を有するものであり得る。このような重合性液晶組成物により、単独または他の液晶化合物と混合して安定した逆波長分散の実現が可能になる。

  This invention relates to a polymerizable liquid crystal compound, a polymerizable liquid crystal composition containing the same, and an optical anisotropy. The polymerizable liquid crystal compound includes: a first liquid crystal molecule-derived radical containing a mesogen group having a non-aromatic ring; a second liquid crystal molecule-derived radical having a mesogen group containing a different structure from the mesogen group with a non-aromatic ring and containing a ring with a double bond; and a linker having a predetermined structure that connects the sp3-hybridized carbon in the non-aromatic ring of the first liquid crystal molecule-derived radical with the sp2-hybridized carbon in the mesogen group of the second liquid crystal molecule-derived radical. At least one of the first and second liquid crystal molecule-derived radicals may have one or more polymerizable groups directly connected to the mesogen group or through a spacer group. Such a polymerizable liquid crystal composition enables the realization of stable reverse wavelength dispersion when used alone or mixed with other liquid crystal compounds.
• FRET Studies on a Series of BODIPY‐Dye‐Labeled Switchable Resorcin[4]arene Cavitands
  作者：Igor Pochorovski、Benjamin Breiten、W. Bernd Schweizer、François Diederich

  DOI：10.1002/chem.201001625

  日期：2010.11.8

  A series of borondipyrromethane (BODIPY)‐dye‐labeled resorcin[4]arene cavitands 1–4 with different lengths of oligo(phenylene–ethynylene) spacers between the dyes and the macrocyclic rim has been synthesized. Their switching behavior from the “vase” to “kite” conformations in bulk solution was examined by both variable‐temperature (VT) NMR and fluorescence spectroscopy. Both VT‐NMR and VT fluorescence

  一系列borondipyrromethane的（BODIPY）-dye标记间苯二酚[4]芳烃cavitands 1 - 4与染料和大环轮辋已经合成寡之间的不同长度（亚苯基-亚乙炔基）隔离物。通过可变温度（VT）NMR和荧光光谱法研究了它们在大体积溶液中从“花瓶”到“风筝”构象的转换行为。两个VT-NMR和VT荧光共振能量转移（FRET）的实验表明，cavitands 1 - 4在低温下经历花瓶到风筝切换。通过荧光光谱观察到酸触发了向风筝构象的转换。对FRET数据的定量评估导致确定Förster半径R 0BODIPY-FRET染料对为= 37Å ，花瓶构造中的平均空洞开口角α = 16°。
• An Approach to Long and Unsubstituted Molecular Wires:  Synthesis of Redox-Active, Cationic Phenylethynyl Oligomers Designed for Self-Assembled Monolayers
  作者：Cédric Hortholary、Christophe Coudret

  DOI：10.1021/jo026735z

  日期：2003.3.1

  oligo(phenyleneethynylene)s (OPEs) have been synthesized in the past, as they are considered as prototypes of molecular wires. When the oligomers are capped by a redox site at one end and a thiol at the other end, the resulting molecules can be grafted as a self-assembled monolayer on a gold electrode and fully studied by electrochemical techniques. Unfortunately, such molecules are usually poorly soluble and

  过去已经合成了各种低聚（亚苯基亚乙炔基）（OPE），因为它们被认为是分子线的原型。当低聚物的一端被氧化还原位点封端，另一端被巯基封端时，所得分子可作为自组装单分子层接枝到金电极上，并通过电化学技术进行了充分研究。不幸的是，这样的分子通常溶解性差并且需要掺入可溶的侧基。在本文中，我们表明，阳离子有机金属钌配合物[Ru（bipy）（2）（ppH）]（+）（bipy，2,2'-bipyridine; ppH 2-（2'-基-苯基）吡啶）可以精确合成长达四个重复单元的未取代硫代乙酸酯封端的OPE。正电荷不会干扰用于延长，纯化或表征分子六氟磷酸盐的常规有机化学。据我们所知，这是为自组装设计的第一个长的，取代不良的OPE系列。
• 有负光色散性的化合物、含该化合物的负光色 散性组合物和含该组合物的光学各向异性体
  申请人：LG化学株式会社

  公开号：CN105593204B

  公开（公告）日：2018-06-26

  本发明涉及一种反向波长色散化合物、包含该化合物的反向波长色散组合物和包含其的光学各向异性体。根据本发明的反向波长色散组合物能够提供更强且更稳定的反向波长色散性质，并且可以提供具有优异的光学性能的光学各向异性体。
• COMPOUNDS HAVING NEGATIVE OPTICAL DISPERSION, NEGATIVE OPTICAL DISPERSION COMPOSITION COMPRISING THE COMPOUNDS, AND OPTICALLY ANISOTROPIC BODY COMPRISING THE COMPOSITION (As Amended)
  申请人：LG CHEM, LTD.

  公开号：US20160200662A1

  公开（公告）日：2016-07-14

  The present invention relates to a reverse wavelength dispersion compound, a reverse wavelength dispersion composition including the same, and an optically anisotropic body including the same. The reverse wavelength dispersion composition according to the present invention can provide a stronger and more stable reverse wavelength dispersion property, and makes it possible to provide an optically anisotropic body having excellent optical properties.

  本发明涉及一种逆波长色散化合物、包括该化合物的逆波长色散组合物，以及包括该组合物的光学各向异性体。根据本发明的逆波长色散组合物可以提供更强大、更稳定的逆波长色散特性，并且可以提供具有优异光学性能的光学各向异性体。