| 1158818-01-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1158818-01-9
• 化学式: C₂₉H₂₆O₂
• 分子量: 406.524
• InChiKey: QVBFZPHSZAXDNT-UHFFFAOYSA-N

物化性质

• 熔点：
  221 °C
• 沸点：
  619.7±55.0 °C(predicted)
• 密度：
  1.120±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.59
• 重原子数：
  31.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  在 盐酸 、 水 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 12.0h， 以94%的产率得到1,1':4',1'':4'',1'''-quaterphenyl-4-ol
  参考文献：
  名称：

  Synthesis of oligophenylenes containing hydroxyl group and their solvatochromic behavior

  摘要：

  Oligo(p-phenylene)s containing hydroxyl group(s), namely, OPP(n)-OH (n=3, 4, and 5; it denotes the number of benzene rings), HO-OPP(3)-OH, and 1,3,5-tri(4-biphenyl)phenol TBP-OH were synthesized in high yields by the Suzuki coupling reaction. Absorption maxima (lambda(max)s) of OPP(n)-OHs shifted progressively toward long wavelengths due to the expansion of the pi-conjugation system with an increase in the number of benzene rings. Deprotonation of the OH group of OPP(n)-OHs by treatment with NaH caused a bathochromic shift of lambda(max). The bathochromic shift of the deprotonated species increased with the donor numbers (DNs) of the solvents. The emission peak positions of OPP(n)-OH and OPP(n)-ONa depended on the DN of the solvents; that is, the emission color could be tuned by changing the solvent. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.02.073
• 作为产物：
  描述：

  4-联苯硼酸 、 4-(tetrahydropyran-2-yloxy)-4'-bromo-1,1'-biphenyl 在 四(三苯基膦)钯 、 甲基三辛基氯化铵 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以88%的产率得到
  参考文献：
  名称：

  Synthesis of oligophenylenes containing hydroxyl group and their solvatochromic behavior

  摘要：

  Oligo(p-phenylene)s containing hydroxyl group(s), namely, OPP(n)-OH (n=3, 4, and 5; it denotes the number of benzene rings), HO-OPP(3)-OH, and 1,3,5-tri(4-biphenyl)phenol TBP-OH were synthesized in high yields by the Suzuki coupling reaction. Absorption maxima (lambda(max)s) of OPP(n)-OHs shifted progressively toward long wavelengths due to the expansion of the pi-conjugation system with an increase in the number of benzene rings. Deprotonation of the OH group of OPP(n)-OHs by treatment with NaH caused a bathochromic shift of lambda(max). The bathochromic shift of the deprotonated species increased with the donor numbers (DNs) of the solvents. The emission peak positions of OPP(n)-OH and OPP(n)-ONa depended on the DN of the solvents; that is, the emission color could be tuned by changing the solvent. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.02.073