4-{2,5-dimethoxy-4-[2-(4-{2-[4-({[tris(propan-2-yl)silyl]oxy}methyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}-2-methylbut-3-yn-2-ol | 1429466-20-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-{2,5-dimethoxy-4-[2-(4-{2-[4-({[tris(propan-2-yl)silyl]oxy}methyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}-2-methylbut-3-yn-2-ol
• CAS: 1429466-20-5
• 化学式: C₃₉H₄₆O₄Si
• 分子量: 606.877
• InChiKey: URSMPYDKIFWGMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.32
• 重原子数：
  44.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  47.92
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-{2,5-dimethoxy-4-[2-(4-{2-[4-({[tris(propan-2-yl)silyl]oxy}methyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}-2-methylbut-3-yn-2-ol 在 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 1.33h， 以86%的产率得到{[4-(2-{4-[2-(4-ethynyl-2,5-dimethoxyphenyl)ethynyl]phenyl}ethynyl)phenyl]methoxy}triisopropylsilane
  参考文献：
  名称：

  Synthesis, optical power limiting, and DFT calculations of triplet–triplet absorption of three novel Pt(II)-diacetylide chromophores

  摘要：

  Three novel rod-like Pt(II)-diacetylides have been synthesized. When subjected to intense laser light, all three compounds showed strong optical power limiting at 532 and 600 nm. DFT calculated triplet-triplet electronic excitations were found to correlate with the nonlinear absorption. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.105
• 作为产物：
  描述：

  (4-ethynylbenzyloxy)triisopropylsilane 在 copper(l) iodide 、 bis(triphenylphosphine)palladium(II) dichloride 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 0.13h， 生成 4-{2,5-dimethoxy-4-[2-(4-{2-[4-({[tris(propan-2-yl)silyl]oxy}methyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}-2-methylbut-3-yn-2-ol
  参考文献：
  名称：

  Synthesis, optical power limiting, and DFT calculations of triplet–triplet absorption of three novel Pt(II)-diacetylide chromophores

  摘要：

  Three novel rod-like Pt(II)-diacetylides have been synthesized. When subjected to intense laser light, all three compounds showed strong optical power limiting at 532 and 600 nm. DFT calculated triplet-triplet electronic excitations were found to correlate with the nonlinear absorption. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.105