1,2-bis((4-((tert-butyldimethylsilyloxy)methyl)phenyl)-ethynyl)benzene | 1191885-37-6

• 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: 1,2-bis((4-((tert-butyldimethylsilyloxy)methyl)phenyl)-ethynyl)benzene
• CAS: 1191885-37-6
• 化学式: C₃₆H₄₆O₂Si₂
• 分子量: 566.931
• InChiKey: NPPFLVLXYLSLRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.53
• 重原子数：
  40.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,2-bis((4-((tert-butyldimethylsilyloxy)methyl)phenyl)-ethynyl)benzene 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以98%的产率得到(4,4'-(1,2-phenylenebis(ethyne-2,1-diyl))bis(4,1-phenylene))-dimethanol
  参考文献：
  名称：

  Synthesis, functionalization and photo-Bergman chemistry of enediyne bioconjugates

  摘要：

  Methodology is outlined for the chemical synthesis of versatile photo-Bergman enediyne building blocks and their conjugates. Routes to both mono and bis conjugated enediyne templates are detailed together with representative examples of their bioconjugates, nanoconjugates, PEG derivatives and water soluble salts. The immunocompetence of antibody conjugates is retained, and application in the form of reagents for photodynamic therapy (PDT) advanced. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.059
• 作为产物：
  描述：

  1,2-diethynylbenzene 、 硅烷,(1,1-二甲基乙基)[(4-碘苯基)甲氧基]二甲基- 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 反应 5.0h， 以53%的产率得到1,2-bis((4-((tert-butyldimethylsilyloxy)methyl)phenyl)-ethynyl)benzene
  参考文献：
  名称：

  Synthesis, functionalization and photo-Bergman chemistry of enediyne bioconjugates

  摘要：

  Methodology is outlined for the chemical synthesis of versatile photo-Bergman enediyne building blocks and their conjugates. Routes to both mono and bis conjugated enediyne templates are detailed together with representative examples of their bioconjugates, nanoconjugates, PEG derivatives and water soluble salts. The immunocompetence of antibody conjugates is retained, and application in the form of reagents for photodynamic therapy (PDT) advanced. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.07.059