Acetic acid 2-[9'-(2-acetoxy-ethoxymethyl)-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-[2,2';7',2'']terfluoren-9'-ylmethoxy]-ethyl ester | 906534-71-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: Acetic acid 2-[9'-(2-acetoxy-ethoxymethyl)-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-[2,2';7',2'']terfluoren-9'-ylmethoxy]-ethyl ester
• CAS: 906534-71-2
• 化学式: C₇₃H₉₀O₆
• 分子量: 1063.51
• InChiKey: VSDAXEGENVOGTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.86
• 重原子数：
  79.0
• 可旋转键数：
  32.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 2-[9'-(2-acetoxy-ethoxymethyl)-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-[2,2';7',2'']terfluoren-9'-ylmethoxy]-ethyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 2-[9,9,9'',9''-Tetrahexyl-9'-(2-hydroxy-ethoxymethyl)-9H,9'H,9''H-[2,2';7',2'']terfluoren-9'-ylmethoxy]-ethanol
  参考文献：
  名称：

  Self-Condensed Nanoparticles of Oligofluorenes with Water-Soluble Side Chains

  摘要：

  Self-condensation of the amphiphilic fluorene trimer occurs in the solvent mixture, giving pure "green" fluorescent nanoparticles with controlled radii of 20-100 nm. The origin of the green fluorescence is attributed to the excimer emission via excitation of aggregated dimer structures in the nanoparticles rather than the keto-defects. The present study also suggests the possibility of spectral tuning of emissions from oligofluorene aggregates.

  DOI：

  10.1021/ja063056n
• 作为产物：
  描述：

  (2-乙酰氧基乙氧基)-甲基溴 在 四(三苯基膦)钯 sodium hydroxide 、 苯基三甲基氯化铵 、 potassium carbonate 作用下， 以 水 、 二甲基亚砜 、 甲苯 为溶剂， 反应 62.5h， 生成 Acetic acid 2-[9'-(2-acetoxy-ethoxymethyl)-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-[2,2';7',2'']terfluoren-9'-ylmethoxy]-ethyl ester
  参考文献：
  名称：

  Self-Condensed Nanoparticles of Oligofluorenes with Water-Soluble Side Chains

  摘要：

  Self-condensation of the amphiphilic fluorene trimer occurs in the solvent mixture, giving pure "green" fluorescent nanoparticles with controlled radii of 20-100 nm. The origin of the green fluorescence is attributed to the excimer emission via excitation of aggregated dimer structures in the nanoparticles rather than the keto-defects. The present study also suggests the possibility of spectral tuning of emissions from oligofluorene aggregates.

  DOI：

  10.1021/ja063056n