1-(tert-butyldimethylsilylethynyl)-2,4-bis(dodecyloxy)-5-(3-hydroxy-3-methyl-1-butynyl)benzene | 929206-92-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(tert-butyldimethylsilylethynyl)-2,4-bis(dodecyloxy)-5-(3-hydroxy-3-methyl-1-butynyl)benzene
• CAS: 929206-92-8
• 化学式: C₄₃H₇₄O₃Si
• 分子量: 667.144
• InChiKey: PHUDWKJJHFNHRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.81
• 重原子数：
  47.0
• 可旋转键数：
  24.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(tert-butyldimethylsilylethynyl)-2,4-bis(dodecyloxy)-5-(3-hydroxy-3-methyl-1-butynyl)benzene 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 1.5h， 以77%的产率得到1-(tert-butyldimethylsilylethynyl)-2,4-bis(dodecyloxy)-5-ethynylbenzene
  参考文献：
  名称：

  Highly Emissive π-Conjugated Alkynylpyrene Oligomers:  Their Synthesis and Photophysical Properties

  摘要：

  We newly prepared para- and meta-linked alkynylpyrene oligomers and examined their photophysical properties. Oligomerization of monomeric building blocks was performed by Cu-I-promoted oxidative coupling reaction. The resulting oligomers mainly consist of 2-mer to 6-mer that were assigned on the basis of MALDI-TOF mass spectra, and the 2-mer, 3-mer, and 4-mer were isolated and fully characterized. From their absorption and fluorescence spectra, the para-linked oligomers were found to be somewhat pi-conjugated compared with meta-linked ones, and the fluorescence quantum yields decreased with increasing oligomer length (Phi(f) = 0.79-0.55).

  DOI：

  10.1021/jo061959t
• 作为产物：
  描述：

  4-溴间苯二酚 在 四(三苯基膦)钯 、 bis(tri-tert-butylphosphine)palladium(0) copper(l) iodide 、 一氯化碘 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醚 、 甲苯 为溶剂， 反应 8.5h， 生成 1-(tert-butyldimethylsilylethynyl)-2,4-bis(dodecyloxy)-5-(3-hydroxy-3-methyl-1-butynyl)benzene
  参考文献：
  名称：

  Highly Emissive π-Conjugated Alkynylpyrene Oligomers:  Their Synthesis and Photophysical Properties

  摘要：

  We newly prepared para- and meta-linked alkynylpyrene oligomers and examined their photophysical properties. Oligomerization of monomeric building blocks was performed by Cu-I-promoted oxidative coupling reaction. The resulting oligomers mainly consist of 2-mer to 6-mer that were assigned on the basis of MALDI-TOF mass spectra, and the 2-mer, 3-mer, and 4-mer were isolated and fully characterized. From their absorption and fluorescence spectra, the para-linked oligomers were found to be somewhat pi-conjugated compared with meta-linked ones, and the fluorescence quantum yields decreased with increasing oligomer length (Phi(f) = 0.79-0.55).

  DOI：

  10.1021/jo061959t