9-(2-ethylhexyl)-3-[9-(oxiran-2-ylmethyl)carbazol-3-yl]carbazole | 1168723-23-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 9-(2-ethylhexyl)-3-[9-(oxiran-2-ylmethyl)carbazol-3-yl]carbazole
• 英文别名: 3-[9-(2-Ethylhexyl)carbazol-3-yl]-9-(oxiran-2-ylmethyl)carbazole；3-[9-(2-ethylhexyl)carbazol-3-yl]-9-(oxiran-2-ylmethyl)carbazole
• CAS: 1168723-23-6
• 化学式: C₃₅H₃₆N₂O
• 分子量: 500.684
• InChiKey: XRQJRRADGLKNJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  22.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4'4-二巯基二苯硫醚 、 9-(2-ethylhexyl)-3-[9-(oxiran-2-ylmethyl)carbazol-3-yl]carbazole 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以50%的产率得到bis[4-({3-[9-(2-ethylhexyl)carbazol-3-yl]carbazol-9-yl}-2-hydroxyprop-1-yl-thio)phenyl]sulfide
  参考文献：
  名称：

  3,3′-Bicarbazolyl-Containing Oxirane and its Reaction Products as New Glass-Forming Electroactive Materials

  摘要：

  Low-molar-mass oxiranyl-substituted 3,3'-bicarbazolyl derivatives were synthesized by the reaction of 3,3'-bicarbazolyl-containing oxirane with dimercapto compounds as linking agents. The cationic ring opening polymerization of oxirane monomers was performed using ytterbium (III) trifluoromethanesulfonate [Yb(OTf)(3)] as a cationic initiator to obtain polyether. The full characterization of the compounds by mass spectrometry, IR, H-1 NMR, and C-13 NMR is presented. All the compounds represent amorphous materials with glass transition temperatures ranging from 28 degrees C to 112 C and with 5%-weight-loss temperatures exceeding 308 degrees C. The electron photoemission spectra of the materials were recorded, and the ionization potentials of ca. 5.5 eV were established. Time-of-flight hole drift mobilities of the a morph oils film of some synthesized compounds exceed 10(-5) cm(2)/Vs at high electric fields.

  DOI：

  10.1080/15421400802462938
• 作为产物：
  描述：

  9-(2-ethylhexyl)-9′H-3,3′-bicarbazole 、 环氧氯丙烷 在 sodium sulfate 、 potassium hydroxide 作用下， 反应 3.0h， 以68%的产率得到9-(2-ethylhexyl)-3-[9-(oxiran-2-ylmethyl)carbazol-3-yl]carbazole
  参考文献：
  名称：

  3,3′-Bicarbazolyl-Containing Oxirane and its Reaction Products as New Glass-Forming Electroactive Materials

  摘要：

  Low-molar-mass oxiranyl-substituted 3,3'-bicarbazolyl derivatives were synthesized by the reaction of 3,3'-bicarbazolyl-containing oxirane with dimercapto compounds as linking agents. The cationic ring opening polymerization of oxirane monomers was performed using ytterbium (III) trifluoromethanesulfonate [Yb(OTf)(3)] as a cationic initiator to obtain polyether. The full characterization of the compounds by mass spectrometry, IR, H-1 NMR, and C-13 NMR is presented. All the compounds represent amorphous materials with glass transition temperatures ranging from 28 degrees C to 112 C and with 5%-weight-loss temperatures exceeding 308 degrees C. The electron photoemission spectra of the materials were recorded, and the ionization potentials of ca. 5.5 eV were established. Time-of-flight hole drift mobilities of the a morph oils film of some synthesized compounds exceed 10(-5) cm(2)/Vs at high electric fields.

  DOI：

  10.1080/15421400802462938

文献信息

• 3,3′-Bicarbazolyl-Containing Oxirane and its Reaction Products as New Glass-Forming Electroactive Materials
  作者：V. Vaitkeviciene、J. V. Grazulevicius、V. Jankauskas

  DOI：10.1080/15421400802462938

  日期：2008.12.3

  Low-molar-mass oxiranyl-substituted 3,3'-bicarbazolyl derivatives were synthesized by the reaction of 3,3'-bicarbazolyl-containing oxirane with dimercapto compounds as linking agents. The cationic ring opening polymerization of oxirane monomers was performed using ytterbium (III) trifluoromethanesulfonate [Yb(OTf)(3)] as a cationic initiator to obtain polyether. The full characterization of the compounds by mass spectrometry, IR, H-1 NMR, and C-13 NMR is presented. All the compounds represent amorphous materials with glass transition temperatures ranging from 28 degrees C to 112 C and with 5%-weight-loss temperatures exceeding 308 degrees C. The electron photoemission spectra of the materials were recorded, and the ionization potentials of ca. 5.5 eV were established. Time-of-flight hole drift mobilities of the a morph oils film of some synthesized compounds exceed 10(-5) cm(2)/Vs at high electric fields.