| 1609021-30-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• CAS: 1609021-30-8
• 化学式: C₂₉H₂₁F₃O₂
• 分子量: 458.48
• InChiKey: XMJIUQOBDSXHCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.57
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-羟基蒽醌 在 sodium tetrahydroborate 、 正丁基锂 、 溴 、 异丙醇 作用下， 以 乙醚 、 正己烷 、 水 、 溶剂黄146 、 乙腈 为溶剂， 反应 21.25h， 生成
  参考文献：
  名称：

  Near-Visible Light Generation of a Quinone Methide from 3-Hydroxymethyl-2-anthrol

  摘要：

  Excitation of 2-hydroxy-3-(diphenylhydroxymethyl)-anthracene (7) to SI initiates photodehydration, giving the corresponding quinone methide (QM) that was detected by laser flash photolysis (LFP) in 2,2,2-trifluoroethanol (lambda = 580 nm, tau = 690 +/- 10 ns). The QM decays by protonation, giving a cation (lambda = 520 nm, tau = 84 +/- 3 ps), which subsequently reacts with nucleophiles. The rate constants in the reactions with nucleophiles were determined by LFP, whereas the adducts were isolated via preparative photolyses. The photogeneration of QMs in the anthrol series is important for potential use in biological systems since the chromophore absorbs at wavelengths > 400 nm. Antiproliferative investigations conducted with 2-anthrol derivative 7 on three human cancer cell lines showed higher activity for irradiated cells.

  DOI：

  10.1021/jo500290y