4-tert-Butyl-2-[(triisopropylsilanyl)-ethynyl]-1-trimethylsilanylethynyl-benzene | 849192-34-3

• 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: 4-tert-Butyl-2-[(triisopropylsilanyl)-ethynyl]-1-trimethylsilanylethynyl-benzene
• 英文别名: 2-[5-Tert-butyl-2-(2-trimethylsilylethynyl)phenyl]ethynyl-tri(propan-2-yl)silane；2-[5-tert-butyl-2-(2-trimethylsilylethynyl)phenyl]ethynyl-tri(propan-2-yl)silane
• CAS: 849192-34-3
• 化学式: C₂₆H₄₂Si₂
• 分子量: 410.79
• InChiKey: DRYMYDBYHNGLMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.78
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 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-tert-Butyl-2-[(triisopropylsilanyl)-ethynyl]-1-trimethylsilanylethynyl-benzene 在 吡啶 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四(三苯基膦)钯 、 air 、 四丁基氟化铵 、 potassium carbonate 、 copper(l) chloride 作用下， 以 四氢呋喃 、 甲醇 、 三乙胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 生成
  参考文献：
  名称：

  Dimethyldihydropyrene−Dehydrobenzoannulene Hybrids:  Studies in Aromaticity and Photoisomerization

  摘要：

  The synthesis and study of dehydrobenzoannulene (DBA)-dimethyldihydropyrene (DDP) hybrids as models for the investigation of aromaticity in weakly diatropic systems is reported. Three new monofused DBA-DDP hybrids have been synthesized, and their NMR spectra are discussed with regard to quantifying the aromaticity remaining in multibenzene-fused DBAs. Nucleus-independent chemical shifts, determined at a series of locations for each compound, bond lengths, and H-1 and C-13 NMR chemical shifts were calculated and used to probe the aromaticity of these hybrids. Systems where more than one annulene/DBA is fused to the DDP core have also been obtained, and their potential use in photoinduced isomerization applications is discussed.

  DOI：

  10.1021/jo020462q
• 作为产物：
  描述：

  4-tert-butyl-1-iodo-2-(triisopropylsilyl)ethynylbenzene 、 三甲基乙炔基硅 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 作用下， 以 三乙胺 为溶剂， 反应 10.0h， 生成 4-tert-Butyl-2-[(triisopropylsilanyl)-ethynyl]-1-trimethylsilanylethynyl-benzene
  参考文献：
  名称：

  Dimethyldihydropyrene−Dehydrobenzoannulene Hybrids:  Studies in Aromaticity and Photoisomerization

  摘要：

  The synthesis and study of dehydrobenzoannulene (DBA)-dimethyldihydropyrene (DDP) hybrids as models for the investigation of aromaticity in weakly diatropic systems is reported. Three new monofused DBA-DDP hybrids have been synthesized, and their NMR spectra are discussed with regard to quantifying the aromaticity remaining in multibenzene-fused DBAs. Nucleus-independent chemical shifts, determined at a series of locations for each compound, bond lengths, and H-1 and C-13 NMR chemical shifts were calculated and used to probe the aromaticity of these hybrids. Systems where more than one annulene/DBA is fused to the DDP core have also been obtained, and their potential use in photoinduced isomerization applications is discussed.

  DOI：

  10.1021/jo020462q

文献信息

• Novel synthetic strategy towards subphthalocyanine-functionalized acetylenic scaffolds <i>via</i> various dibromo-enynes
  作者：Line Broløs、Martin Drøhse Kilde、Mogens Brøndsted Nielsen

  DOI：10.1039/d0ob00988a

  日期：——

  Boron subphthalocyanine (SubPc) is a strong chromophore with interesting applications in the field of functional materials and can be synthetically modified in both the peripheral and axial positions, allowing tuning of optical and redox properties. Herein we present novel acetylenic scaffolds where SubPc units are bridged via acetylenic moieties at the boron atoms. Specifically, we show that dibromo-functionalized

  硼亚酞菁 (SubPc) 是一种强生色团，在功能材料领域具有有趣的应用，可以在周边和轴向位置进行合成修饰，从而可以调节光学和氧化还原特性。在这里，我们提出了新的炔属支架，其中 SubPc 单元通过硼原子上的炔属部分桥接。具体来说，我们表明二溴官能化的烯炔和烯二炔单元（乙烯基二溴化物）可以使用 AlCl 3连接到一个或两个 SubPc 硼原子介导的三甲基甲硅烷基保护的炔烃的炔基化方案，这些化合物可以方便地用于进一步的 Sonogashira 或 Glaser-Hay 偶联反应。因此，获得了新的四乙炔基乙烯 (TEE) - SubPc 支架。通过循环伏安法研究了并入二聚体支架中的两个 SubPc 单元之间的通信程度。当被一个 TEE 单元桥接时，SubPc 单元的氧化顺序发生，而两个 SubPc 单元在被两个 TEE 单元隔开时表现为独立的氧化还原中心。
• Dimethyldihydropyrene−Dehydrobenzoannulene Hybrids:  Studies in Aromaticity and Photoisomerization
  作者：David B. Kimball、Michael M. Haley、Reginald H. Mitchell、Timothy R. Ward、Subhajit Bandyopadhyay、Richard Vaughan Williams、John R. Armantrout

  DOI：10.1021/jo020462q

  日期：2002.12.1

  The synthesis and study of dehydrobenzoannulene (DBA)-dimethyldihydropyrene (DDP) hybrids as models for the investigation of aromaticity in weakly diatropic systems is reported. Three new monofused DBA-DDP hybrids have been synthesized, and their NMR spectra are discussed with regard to quantifying the aromaticity remaining in multibenzene-fused DBAs. Nucleus-independent chemical shifts, determined at a series of locations for each compound, bond lengths, and H-1 and C-13 NMR chemical shifts were calculated and used to probe the aromaticity of these hybrids. Systems where more than one annulene/DBA is fused to the DDP core have also been obtained, and their potential use in photoinduced isomerization applications is discussed.