5,8-dimethyl-9,10-dihydro-9,10[1',2']benzenoanthracene-1,4-diol | 660852-66-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 5,8-dimethyl-9,10-dihydro-9,10[1',2']benzenoanthracene-1,4-diol
• 英文别名: 10,13-Dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,6-diol；10,13-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,6-diol
• CAS: 660852-66-4
• 化学式: C₂₂H₁₈O₂
• 分子量: 314.384
• InChiKey: CFLGNQJNLOATLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,8-dimethyl-9,10-dihydro-9,10[1',2']benzenoanthracene-1,4-diol 在 N-溴代丁二酰亚胺(NBS) 、 sodium hydride 、 过氧化苯甲酰 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 24.5h， 生成 1,4-bis(2-ethylhexyloxy)-5,8-bis(bromomethyl)-9,10-dihydro-9,10[1',2']benzenoanthracene
  参考文献：
  名称：

  Hyperconjugative and Inductive Perturbations in Poly(p-phenylene vinylenes)

  摘要：

  New polymers having high solid-state fluorescence quantum yields and the ability to tune their electron affinity without effecting their band gap using hyperconjugative interactions is reported. The novel three-dimensional poly(phenylene vinylenes) having [2.2.2] bicyclic ring systems shown were synthesized, and the different hyperconjugative perturbations provide differential fluorescence sensory quenching responses to electron-rich and electron-deficient analytes in solution and solid thin films.

  DOI：

  10.1021/ja038472b
• 作为产物：
  描述：

  1,4-二甲基蒽醌 在 sodium tetrahydroborate 作用下， 以 异丙醇 、 xylene 为溶剂， 反应 0.67h， 生成 5,8-dimethyl-9,10-dihydro-9,10[1',2']benzenoanthracene-1,4-diol
  参考文献：
  名称：

  Hyperconjugative and Inductive Perturbations in Poly(p-phenylene vinylenes)

  摘要：

  New polymers having high solid-state fluorescence quantum yields and the ability to tune their electron affinity without effecting their band gap using hyperconjugative interactions is reported. The novel three-dimensional poly(phenylene vinylenes) having [2.2.2] bicyclic ring systems shown were synthesized, and the different hyperconjugative perturbations provide differential fluorescence sensory quenching responses to electron-rich and electron-deficient analytes in solution and solid thin films.

  DOI：

  10.1021/ja038472b

文献信息

• US7700366B2
  申请人：——

  公开号：US7700366B2

  公开（公告）日：2010-04-20
• Hyperconjugative and Inductive Perturbations in Poly(<i>p</i>-phenylene vinylenes)
  作者：Youngmi Kim、Zhengguo Zhu、Timothy M. Swager

  DOI：10.1021/ja038472b

  日期：2004.1.1

  New polymers having high solid-state fluorescence quantum yields and the ability to tune their electron affinity without effecting their band gap using hyperconjugative interactions is reported. The novel three-dimensional poly(phenylene vinylenes) having [2.2.2] bicyclic ring systems shown were synthesized, and the different hyperconjugative perturbations provide differential fluorescence sensory quenching responses to electron-rich and electron-deficient analytes in solution and solid thin films.