9,10,10-trimethyl-9-hydroxy-9,10-dihydrophenanthrene | 97278-31-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 9,10,10-trimethyl-9-hydroxy-9,10-dihydrophenanthrene
• 英文别名: 9-Hydroxy-9,10,10-trimethyl-9,10-dihydro-phenanthren；9,10,10-trimethyl-9,10-dihydrophenanthren-9-ol；9,10,10-trimethylphenanthren-9-ol
• CAS: 97278-31-4
• 化学式: C₁₇H₁₈O
• 分子量: 238.329
• InChiKey: UVTDTQXSOPXXSO-UHFFFAOYSA-N

物化性质

• 熔点：
  79-81 °C(Solv: ligroine (8032-32-4))
• 沸点：
  370.7±21.0 °C(Predicted)
• 密度：
  1.083±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  9,10,10-trimethyl-9-hydroxy-9,10-dihydrophenanthrene 在 palladium on activated charcoal 高氯酸 、 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以77.9%的产率得到9,10,10-trimethyl-DHP
  参考文献：
  名称：

  Carbon-13 magnetic resonance of hydroaromatics. 3. Conformation of 1,2,3,4-tetrahydrophenanthrene and 9,10-dihydrophenanthrene and their methyl derivatives

  摘要：

  DOI：

  10.1021/jo00218a027
• 作为产物：
  描述：

  9,10-二氢-9,10-二甲基-9,10-菲二醇 在 硫酸 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 4.0h， 生成 9,10,10-trimethyl-9-hydroxy-9,10-dihydrophenanthrene
  参考文献：
  名称：

  有机电致发光化合物、包含其的有机电致发光材料、以及有机电致发光装置

  摘要：

  本公开涉及一种有机电致发光化合物、一种包含其的有机电致发光材料、以及一种有机电致发光装置。通过包含根据本公开的有机电致发光化合物和包含所述有机电致发光化合物的有机电致发光材料，可以提供具有低驱动电压和/或高发光效率和/或长寿命的有机电致发光装置。

  公开号：

  CN113493422A

文献信息

• Formation of dications bearing a S(OH)₂⁺ group from long-lived 9,9-dimethyl-10 R-phenanthrenium cations in FSO₃H–SbF₅/SO₂ClF/SO₂: a mechanistic study
  作者：George E. Salnikov、Alexander M. Genaev、Vladimir A. Bushmelev、Andrey A. Nefedov、Vyacheslav G. Shubin

  DOI：10.1039/c4ra11673a

  日期：——

  A key step in the reaction mechanism is addition of SO₂ to the superelectrophilic intermediates – protonated phenanthrenium cations.

  反应机理的关键步骤是将SO2加到超电子亲电中间体上 - 质子化的菲咯啉阳离子。
• Structural nonrigidity of 9,9,10-trimethyland 4,5,9,9,10-pentamethylphenanthrenylium ions
  作者：V. A. Bushmelev、A. M. Genaev、G. E. Sal’nikov、V. G. Shubin

  DOI：10.1134/s1070428010040123

  日期：2010.4

  DFT quantum-chemical calculations predicted structural nonrigidity of 9,9,10-trimethyl- and 4,5,9,9,10-pentamethylphenanthrenylium ions. The cross section of the potential energy surface at the nonrigidity coordinate for the first of these ions is symmetric, and for the second, asymmetric. These results were confirmed experimentally: the C-13 NMR spectra of 4,5,9,9,10-pentamethylphenanthrenylium showed considerable temperature dependence of chemical shifts which is not typical of 9,9,10-trimethylphenanthrenylium.
• Shubin,V.G. et al., Doklady Chemistry, 1968, vol. 179, p. 212 - 215
  作者：Shubin,V.G. et al.

  DOI：——

  日期：——
• ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE
  申请人：ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD.

  公开号：US20210328150A1

  公开（公告）日：2021-10-21

  The present disclosure relates to an organic electroluminescent compound, an organic electroluminescent material comprising the same, and an organic electroluminescent device. By comprising an organic electroluminescent compound according to the present disclosure and an organic electroluminescent material comprising the same, an organic electroluminescent device having low driving voltage and/or high luminous efficiency and/or long lifespan can be provided.