((4,5-didecyl-2-iodophenyl)ethynyl)trimethylsilane | 952054-12-5

• 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: ((4,5-didecyl-2-iodophenyl)ethynyl)trimethylsilane
• CAS: 952054-12-5
• 化学式: C₃₁H₅₃ISi
• 分子量: 580.752
• InChiKey: YLOFPUMBJSAYCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.89
• 重原子数：
  33.0
• 可旋转键数：
  18.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  ((4,5-didecyl-2-iodophenyl)ethynyl)trimethylsilane 在 bis-triphenylphosphine-palladium(II) chloride 甲醇 、 copper(l) iodide 、 potassium carbonate 、 二异丙胺 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Carbon Networks Based on Benzocyclynes. 6. Synthesis of Graphyne Substructures via Directed Alkyne Metathesis

  摘要：

  Intramolecular ring closing alkyne metathesis afforded the graphyne biscyclyne (3) in high macrocyclization yield and good overall yield. This methodology also furnished the tris[12]cyclyne 4, which contains the longest linear diphenylacetylene conjugation pathway for any graphyne substructure based on the tribenzo[12]cyclyne core.

  DOI：

  10.1021/ol7014253
• 作为产物：
  描述：

  1,2-二癸基-4,5-二碘苯 、 三甲基乙炔基硅 在 四(三苯基膦)钯 copper(l) iodide 、 二异丙胺 作用下， 反应 3.0h， 以51%的产率得到((4,5-didecyl-2-iodophenyl)ethynyl)trimethylsilane
  参考文献：
  名称：

  Carbon Networks Based on Benzocyclynes. 6. Synthesis of Graphyne Substructures via Directed Alkyne Metathesis

  摘要：

  Intramolecular ring closing alkyne metathesis afforded the graphyne biscyclyne (3) in high macrocyclization yield and good overall yield. This methodology also furnished the tris[12]cyclyne 4, which contains the longest linear diphenylacetylene conjugation pathway for any graphyne substructure based on the tribenzo[12]cyclyne core.

  DOI：

  10.1021/ol7014253

文献信息

• Synthesis and Photophysical Properties of Expanded Dehydrobenzoannulenoannulene Trefoils
  作者：Takashi Takeda、Aaron G. Fix、Michael M. Haley

  DOI：10.1021/ol101542e

  日期：2010.9.3

  A sequential Sonogashira cross-coupling/Pd-mediated oxidative homocoupling strategy affords two-dimensional dehydrobenzoannulene trefoils containing different sizes of the central annulenic ring system. Use of these conditions instead of Cu-mediated homocoupling conditions yields a structural isomer possessing a triphenylene ([6]annulene) core. Noticeable differences in the absorption and emission spectra are observed depending upon the core unit.